Hexane, 3,3-dimethyl-

Other names: 3,3-Dimethylhexane.

InChI: InChI=1S/C8H18/c1-5-7-8(3,4)6-2/h5-7H2,1-4H3

InChI Key: KUMXLFIBWFCMOJ-UHFFFAOYSA-N

Formula: C8H18

SMILES: CCCC(C)(C)CC

Molecular Weight: 114.23

CAS: 563-16-6

Physical Properties

Property Value Unit Source

∆cH°

liquid-5462.97 ± 0.96 kJ/mol NIST Webbook

∆fG° 19.32 kJ/mol Joback Method

∆fH°

gas-220.10 ± 1.10 kJ/mol NIST Webbook

∆fH°

liquid-257.70 ± 1.10 kJ/mol NIST Webbook

∆fus

H° 9.06 kJ/mol Joback Method

∆vap

H° 37.60 kJ/mol NIST Webbook

∆vap

H° 37.50 ± 0.10 kJ/mol NIST Webbook

∆vap

H° 37.53 kJ/mol NIST Webbook

logPoct/wat

3.22 Crippen Method

Pc

2650.00 ± 40.00 kPa NIST Webbook

Pc

2653.40 ± 40.53 kPa NIST Webbook

Tboil

385.20 K NIST Webbook

Tboil

385.10 K NIST Webbook

Tboil

384.65 ± 0.60 K NIST Webbook

Tboil

385.13 ± 0.10 K NIST Webbook

Tboil

385.12 ± 0.20 K NIST Webbook

Tboil

385.00 ± 0.30 K NIST Webbook

Property Value Unit Source

Tboil

385.05 ± 0.30 K NIST Webbook

Tboil

385.35 ± 0.30 K NIST Webbook

Tboil

385.10 ± 0.15 K NIST Webbook

Tboil

393.05 ± 0.50 K NIST Webbook

Tboil

385.11 ± 0.01 K NIST Webbook

Tboil

385.35 ± 0.50 K NIST Webbook

Tboil

385.12 ± 0.10 K NIST Webbook

Tboil

385.05 ± 0.30 K NIST Webbook

Tboil

385.15 ± 0.50 K NIST Webbook

Tboil

385.20 ± 0.50 K NIST Webbook

Tboil

384.10 ± 0.60 K NIST Webbook

Tboil

384.65 ± 1.50 K NIST Webbook

Tc

562.00 ± 0.50 K NIST Webbook

Tc

561.95 ± 0.40 K NIST Webbook

Tfus

147.04 ± 0.03 K NIST Webbook

Tfus

147.04 ± 0.02 K NIST Webbook

Tfus

147.04 ± 0.02 K NIST Webbook

Tfus

146.98 ± 0.30 K NIST Webbook

Tfus

147.02 ± 0.01 K NIST Webbook

Tfus

146.99 ± 0.06 K NIST Webbook

Tfus

146.97 ± 0.10 K NIST Webbook

Vc

0.44 m3/kg-mol NIST Webbook

Temperature Dependent Properties

Property Value Unit Temperature (K) Source

Cp,gas

233.16 J/mol×K 379.21 Joback Method

Cp,liquid

246.60 J/mol×K 298.15 NIST Webbook

Property Value Unit Temperature (K) Source

η 0.00 Pa×s 379.21 Joback Method

∆vap

H 41.20 kJ/mol 316.0 NIST Webbook

∆vap

H 36.60 kJ/mol 347.0 NIST Webbook

∆vap

H 32.31 kJ/mol 385.1 NIST Webbook

Sources

Joback Method: https://en.wikipedia.org/wiki/Joback_method

NIST Webbook: http://webbook.nist.gov/cgi/inchi/InChI=1S/C8H18/c1-5-7-8(3,4)6-2/h5-7H2,1-4H3

Crippen Method: http://pubs.acs.org/doi/abs/10.1021/ci990307l

Legend

∆cH°

liquid: Standard liquid enthalpy of combustion (kJ/mol).

Cp,gas

: Ideal gas heat capacity (J/mol×K).

Cp,liquid

: Liquid phase heat capacity (J/mol×K).

η: Dynamic viscosity (Pa×s).

∆fG°: Standard Gibbs free energy of formation (kJ/mol).

∆fH°

gas: Enthalpy of formation at standard conditions (kJ/mol).

∆fH°

liquid: Liquid phase enthalpy of formation at standard conditions (kJ/mol).

∆fus

H°: Enthalpy of fusion at standard conditions (kJ/mol).

∆vap

H°: Enthalpy of vaporization at standard conditions (kJ/mol).

∆vap

H: Enthalpy of vaporization at a given temperature (kJ/mol).

logPoct/wat

: Octanol/Water partition coefficient .

Pc: Critical Pressure (kPa).

Tboil

: Normal Boiling Point Temperature (K).

Tc: Critical Temperature (K).

Tfus

: Normal melting (fusion) point (K).

Vc: Critical Volume (m3/kg-mol).

Latest version available from:

https://www.chemeo.com/cid/29-012-6/Hexane%2C%203%2C3-dimethyl-

Generated by Cheméo on Sat, 26 May 2018 12:32:05 +0000.

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