Chemical Properties of Heptane, 3-methyl- (CAS 589-81-1)

Heptane, 3-methyl-

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InChI
InChI=1S/C8H18/c1-4-6-7-8(3)5-2/h8H,4-7H2,1-3H3
InChI Key
LAIUFBWHERIJIH-UHFFFAOYSA-N
Formula
C8H18
SMILES
CCCCC(C)CC
Molecular Weight1
114.23
CAS
589-81-1
Other Names
  • 2-Ethylhexane
  • 3-Methylheptane
Sources

Physical Properties

Property Value Unit Source
Δcliquid -5468.20 ± 1.30 kJ/mol NIST
Δf 14.04 kJ/mol Joback Calculated Property
Δfgas -212.60 ± 1.10 kJ/mol NIST
Δfliquid -252.50 ± 1.10 kJ/mol NIST
Δfus 12.95 kJ/mol Joback Calculated Property
Δvap [39.80; 39.88] kJ/mol Show Hide
Δvap 39.88 kJ/mol NIST
Δvap 39.80 ± 0.20 kJ/mol NIST
Δvap 39.80 kJ/mol NIST
Δvap 39.80 ± 0.10 kJ/mol NIST
Δvap 39.83 kJ/mol NIST
logPoct/wat 3.22 Crippen Calculated Property
Pc 2550.00 ± 40.00 kPa NIST
Pc 2546.00 ± 40.53 kPa NIST
gas 465.89 ± 0.84 J/mol×K NIST
liquid 362.60 J/mol×K NIST
Tboil [388.15; 392.25] K Show Hide
Tboil 392.10 K NIST
Tboil 391.70 ± 1.00 K NIST
Tboil 392.00 ± 2.00 K NIST
Tboil 390.00 ± 2.00 K NIST
Tboil 392.08 ± 0.20 K NIST
Tboil 391.95 ± 0.30 K NIST
Tboil 390.85 ± 0.30 K NIST
Tboil Outlier 388.15 ± 3.00 K NIST
Tboil 391.95 ± 0.40 K NIST
Tboil 392.10 ± 0.30 K NIST
Tboil 392.11 ± 0.20 K NIST
Tboil 392.04 ± 0.30 K NIST
Tboil 391.75 ± 0.50 K NIST
Tboil 392.04 ± 0.15 K NIST
Tboil 392.04 ± 0.30 K NIST
Tboil 392.07 ± 0.01 K NIST
Tboil 392.07 ± 0.10 K NIST
Tboil 392.25 ± 0.50 K NIST
Tboil 392.25 ± 0.20 K NIST
Tboil 392.25 ± 0.60 K NIST
Tboil 392.25 ± 0.30 K NIST
Tboil 392.20 ± 0.30 K NIST
Tboil 390.95 ± 1.00 K NIST
Tboil 392.25 ± 0.20 K NIST
Tboil 390.75 ± 0.60 K NIST
Tboil 391.75 ± 1.00 K NIST
Tboil 391.15 ± 2.00 K NIST
Tboil 390.75 ± 0.50 K NIST
Tc 563.60 ± 0.50 K NIST
Tc 563.70 K NIST
Tc 563.60 ± 0.40 K NIST
Tfus [144.35; 152.65] K Show Hide
Tfus 152.59 ± 0.04 K NIST
Tfus 152.59 ± 0.03 K NIST
Tfus 152.60 ± 0.02 K NIST
Tfus 151.05 ± 1.00 K NIST
Tfus 151.15 ± 1.50 K NIST
Tfus 152.38 ± 0.20 K NIST
Tfus Outlier 144.35 ± 0.30 K NIST
Tfus 152.35 ± 0.20 K NIST
Tfus 152.55 ± 0.01 K NIST
Tfus 152.56 ± 0.09 K NIST
Tfus 152.58 ± 0.07 K NIST
Tfus 152.65 ± 0.05 K NIST
Tfus 152.35 ± 0.30 K NIST
Tfus 152.35 ± 0.60 K NIST
Tfus 152.35 ± 0.20 K NIST
Tfus 150.60 ± 0.30 K NIST
Ttriple 152.65 ± 0.01 K NIST
Vc 0.46 m3/kg-mol NIST

Temperature Dependent Properties

Property Value Unit Temperature (K) Source
Cp,gas 232.14 J/mol×K 382.0 Joback Calculated Property
Cp,liquid 250.20 J/mol×K 298.15 NIST
Cp,liquid 249.66 J/mol×K 298.15 NIST
η 0.00 Pa×s 382.0 Joback Calculated Property
ΔfusH 11.67 kJ/mol 152.6 NIST
ΔfusH 11.70 kJ/mol 152.6 NIST
ΔvapH [33.66; 41.60] kJ/mol [262.00; 392.10] Show Hide
ΔvapH 41.60 kJ/mol 262.0 NIST
ΔvapH 40.10 kJ/mol 339.5 NIST
ΔvapH 38.30 kJ/mol 354.5 NIST
ΔvapH 33.66 kJ/mol 392.1 NIST

Molecular Descriptors

Joback and Reid Groups
>CH- 1
-CH2- 4
-CH3 3

Similar Compounds

(S)-3-methylheptane. Nonane, 5-methyl-. Octane, 4-methyl-. Heptane, 4-methyl-. 6,10-Dimethylhexacosane. Tetracosane, 7-methyl. Tritriacontane, 7,13,17-trimethyl. 2,12,16-Trimethyldotriacontane. 9,13-dimethylheptacosane. Tetratriacontane, 2,14-dimethyl. Tritriacontane, 3-methyl-. Tetratriacontane, 11-methyl. 10-Methylpentacosane. 5,9,15,19-tetramethylnonacosane. 5,9-Dimethyloctacosane.

Find more compounds similar to Heptane, 3-methyl-.

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