Chemical Properties of Hexane, 2-methyl- (CAS 591-76-4)

Hexane, 2-methyl-

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InChI
InChI=1S/C7H16/c1-4-5-6-7(2)3/h7H,4-6H2,1-3H3
InChI Key
GXDHCNNESPLIKD-UHFFFAOYSA-N
Formula
C7H16
SMILES
CCCCC(C)C
Molecular Weight1
100.20
CAS
591-76-4
Other Names
  • 2-Methylhexane
  • Isoheptane
Sources

Physical Properties

Property Value Unit Source
Δcliquid -4811.50 ± 1.20 kJ/mol NIST
Δcliquid -4810.00 ± 1.00 kJ/mol NIST
Δf 5.62 kJ/mol Joback Calculated Property
Δfgas -195.00 ± 1.30 kJ/mol NIST
Δfgas -196.20 kJ/mol NIST
Δfliquid -229.80 ± 1.30 kJ/mol NIST
Δfliquid -231.00 ± 1.00 kJ/mol NIST
Δfus 10.36 kJ/mol Joback Calculated Property
Δvap [34.80; 34.98] kJ/mol Show Hide
Δvap 34.98 kJ/mol NIST
Δvap 34.90 ± 0.10 kJ/mol NIST
Δvap 34.80 kJ/mol NIST
Δvap 34.80 kJ/mol NIST
logPoct/wat 2.833 Crippen Calculated Property
Pc [2732.80; 2756.04] kPa Show Hide
Pc 2740.00 ± 20.00 kPa NIST
Pc 2750.00 ± 25.00 kPa NIST
Pc 2732.80 ± 40.53 kPa NIST
Pc 2756.04 ± 50.66 kPa NIST
gas 419.99 J/mol×K NIST
liquid 323.34 J/mol×K NIST
liquid 315.10 J/mol×K NIST
liquid 314.60 J/mol×K NIST
Tboil [360.85; 364.90] K Show Hide
Tboil 363.20 K NIST
Tboil 363.20 K NIST
Tboil Outlier 362.00 ± 5.00 K NIST
Tboil Outlier 364.90 ± 3.00 K NIST
Tboil 364.00 ± 2.00 K NIST
Tboil 363.20 ± 0.15 K NIST
Tboil 363.70 ± 3.00 K NIST
Tboil 364.15 ± 2.00 K NIST
Tboil 363.25 ± 0.10 K NIST
Tboil 363.15 ± 0.30 K NIST
Tboil 363.45 ± 0.30 K NIST
Tboil 362.85 ± 0.50 K NIST
Tboil 363.25 ± 0.30 K NIST
Tboil 363.20 ± 0.15 K NIST
Tboil 363.20 ± 0.50 K NIST
Tboil 363.30 ± 0.30 K NIST
Tboil 363.20 ± 0.07 K NIST
Tboil 363.25 ± 0.30 K NIST
Tboil 363.20 ± 0.07 K NIST
Tboil 363.18 ± 0.15 K NIST
Tboil 363.18 ± 0.10 K NIST
Tboil 363.30 ± 0.30 K NIST
Tboil 363.15 ± 0.50 K NIST
Tboil 363.15 ± 0.50 K NIST
Tboil 363.20 ± 0.06 K NIST
Tboil 363.30 ± 0.30 K NIST
Tboil 363.20 ± 0.50 K NIST
Tboil 363.23 ± 0.30 K NIST
Tboil 363.35 ± 0.50 K NIST
Tboil 363.25 ± 0.50 K NIST
Tboil 362.85 ± 0.60 K NIST
Tboil 363.25 ± 0.30 K NIST
Tboil 363.25 ± 0.50 K NIST
Tboil 362.90 ± 0.60 K NIST
Tboil 363.25 ± 0.20 K NIST
Tboil 363.45 ± 0.30 K NIST
Tboil 363.38 ± 0.50 K NIST
Tboil 363.25 ± 0.50 K NIST
Tboil Outlier 360.85 ± 0.50 K NIST
Tboil 362.85 ± 0.30 K NIST
Tboil 362.82 ± 0.10 K NIST
Tboil 362.90 ± 0.30 K NIST
Tboil 363.15 ± 0.50 K NIST
Tboil 363.15 ± 0.50 K NIST
Tboil 364.00 ± 2.00 K NIST
Tboil 364.00 ± 2.00 K NIST
Tboil 363.35 ± 1.00 K NIST
Tboil 363.15 ± 2.00 K NIST
Tc [530.30; 531.05] K Show Hide
Tc 530.40 ± 0.20 K NIST
Tc 530.43 ± 0.20 K NIST
Tc 530.30 K NIST
Tc 530.30 ± 0.40 K NIST
Tc 530.33 ± 0.20 K NIST
Tc Outlier 531.05 ± 0.50 K NIST
Tfus [152.85; 154.95] K Show Hide
Tfus 154.87 ± 0.02 K NIST
Tfus 154.86 ± 0.04 K NIST
Tfus 154.85 ± 0.02 K NIST
Tfus 154.86 ± 0.03 K NIST
Tfus 154.88 ± 0.02 K NIST
Tfus 154.39 ± 0.05 K NIST
Tfus 154.87 ± 0.03 K NIST
Tfus 154.95 ± 0.50 K NIST
Tfus 154.91 ± 0.30 K NIST
Tfus 154.89 ± 0.20 K NIST
Tfus 154.89 ± 0.20 K NIST
Tfus 154.82 ± 0.03 K NIST
Tfus 154.83 ± 0.02 K NIST
Tfus 154.88 ± 0.02 K NIST
Tfus 154.65 ± 0.30 K NIST
Tfus 154.65 ± 0.50 K NIST
Tfus 154.95 ± 0.50 K NIST
Tfus Outlier 152.85 ± 0.30 K NIST
Tfus 154.95 ± 0.50 K NIST
Tfus 154.25 ± 0.20 K NIST
Tfus 154.05 ± 0.50 K NIST
Tfus 154.05 ± 0.50 K NIST
Tfus 154.05 ± 0.50 K NIST
Ttriple [154.00; 154.90] K Show Hide
Ttriple 154.86 ± 0.09 K NIST
Ttriple 154.90 ± 0.06 K NIST
Ttriple 154.86 ± 0.04 K NIST
Ttriple 154.90 ± 0.02 K NIST
Ttriple 154.00 ± 0.20 K NIST
Ttriple 154.00 ± 0.20 K NIST
Vc 0.421 m3/kg-mol NIST

Temperature Dependent Properties

Property Value Unit Temperature (K) Source
Cp,gas 194.02 J/mol×K 359.12 Joback Calculated Property
Cp,liquid 219.20 J/mol×K 292.4 NIST
Cp,liquid 222.92 J/mol×K 298.15 NIST
η 0.0002346 Pa×s 359.12 Joback Calculated Property
ΔfusH [8.87; 9.18] kJ/mol [154.00; 154.90] Show Hide
Plot of Enthalpy of fusion at a given temperature.
ΔfusH 8.87 kJ/mol 154.0 NIST
ΔfusH 8.87 kJ/mol 154.0 NIST
ΔfusH 9.18 kJ/mol 154.9 NIST
ΔfusH 9.18 kJ/mol 154.9 NIST
ΔfusH 9.18 kJ/mol 154.9 NIST
ΔvapH [30.62; 34.80] kJ/mol [313.00; 363.20] Show Hide
Plot of Enthalpy of vaporization at a given temperature.
ΔvapH 33.90 ± 0.10 kJ/mol 313.0 NIST
ΔvapH 34.80 kJ/mol 327.5 NIST
ΔvapH 34.60 kJ/mol 330.5 NIST
ΔvapH 32.70 ± 0.10 kJ/mol 333.0 NIST
ΔvapH 31.30 ± 0.10 kJ/mol 353.0 NIST
ΔvapH 30.62 kJ/mol 363.2 NIST
ΔfusS 57.60 J/mol×K 154.0 NIST
ΔfusS 57.60 J/mol×K 154.0 NIST
ΔfusS 59.29 J/mol×K 154.9 NIST

Molecular Descriptors

Joback and Reid Groups
>CH- 1
-CH2- 3
-CH3 3

Similar Compounds

Hexane, 2,5-dimethyl-. Pentane, 2-methyl-. Heptane, 2-methyl-. Heptane, 2,6-dimethyl-. 2-Methyltetracosane. Undecane, 2,10-dimethyl-. Dodecane, 2-methyl-. 2-Methylpentacosane. Tricosane, 2-methyl-. Decane, 2-methyl-. 2-Methyldocosane. Heptadecane, 2-methyl-. 2-Methylhentriacontane. Nonacosane, 2-methyl-. Dotriacontane, 2-methyl-.

Find more compounds similar to Hexane, 2-methyl-.

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