Chemical Properties of Cyclohexane, 1,1-dimethyl- (CAS 590-66-9)

Cyclohexane, 1,1-dimethyl-

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InChI
InChI=1S/C8H16/c1-8(2)6-4-3-5-7-8/h3-7H2,1-2H3
InChI Key
QEGNUYASOUJEHD-UHFFFAOYSA-N
Formula
C8H16
SMILES
CC1(C)CCCCC1
Molecular Weight1
112.21
CAS
590-66-9
Other Names
  • 1,1-Dimethylcyclohexane
  • Gem-Dimethylcyclohexane
Sources

Physical Properties

Property Value Unit Source
Δcliquid -5216.00 ± 1.90 kJ/mol NIST
Δcliquid -5241.30 kJ/mol NIST
Δf 35.44 kJ/mol Joback Calculated Property
Δfgas -138.89 kJ/mol Joback Calculated Property
Δfus 2.01 kJ/mol Joback Calculated Property
Δvap [37.80; 38.80] kJ/mol Show Hide
Δvap 37.97 kJ/mol NIST
Δvap 38.80 ± 0.10 kJ/mol NIST
Δvap 37.90 kJ/mol NIST
Δvap 37.80 kJ/mol NIST
IE 9.50 ± 0.05 eV NIST
IE 9.42 eV NIST
logPoct/wat 2.977 Crippen Calculated Property
Pc 3318.18 kPa Joback Calculated Property
gas 364.93 J/mol×K NIST
liquid 267.23 J/mol×K NIST
Tboil [378.70; 393.40] K Show Hide
Tboil 392.70 K NIST
Tboil 392.20 ± 1.00 K NIST
Tboil 392.70 K NIST
Tboil 392.00 ± 2.00 K NIST
Tboil 393.00 ± 2.00 K NIST
Tboil 391.00 ± 5.00 K NIST
Tboil 393.00 ± 1.00 K NIST
Tboil 392.69 ± 0.20 K NIST
Tboil 392.69 ± 0.15 K NIST
Tboil 390.90 ± 2.00 K NIST
Tboil 391.00 ± 3.00 K NIST
Tboil 393.00 ± 2.00 K NIST
Tboil 393.05 ± 0.50 K NIST
Tboil 392.72 ± 0.30 K NIST
Tboil 392.69 ± 0.02 K NIST
Tboil 392.35 ± 0.30 K NIST
Tboil 392.80 ± 0.40 K NIST
Tboil 392.72 ± 0.30 K NIST
Tboil 392.60 ± 0.70 K NIST
Tboil 393.25 ± 0.70 K NIST
Tboil 393.00 ± 4.00 K NIST
Tboil 393.00 ± 2.00 K NIST
Tboil 392.60 ± 1.00 K NIST
Tboil 393.40 ± 0.60 K NIST
Tboil 391.40 ± 3.00 K NIST
Tboil 392.40 ± 3.00 K NIST
Tboil 393.00 ± 2.00 K NIST
Tboil 392.60 ± 2.00 K NIST
Tboil Outlier 378.70 ± 4.00 K NIST
Tc 612.48 K Joback Calculated Property
Tfus 239.13 ± 0.20 K NIST
Tfus 239.61 ± 0.07 K NIST
Tfus 237.95 ± 0.50 K NIST
Ttriple 239.81 ± 0.05 K NIST
Ttriple 239.81 ± 0.05 K NIST
Vc 0.414 m3/kg-mol Joback Calculated Property

Temperature Dependent Properties

Property Value Unit Temperature (K) Source
Cp,gas 213.43 J/mol×K 402.23 Joback Calculated Property
Cp,liquid 209.24 J/mol×K 298.15 NIST
ΔfusH 5.98 kJ/mol 153.2 NIST
ΔfusH 2.01 kJ/mol 239.8 NIST
ΔvapH 39.60 ± 0.10 kJ/mol 287.0 NIST
ΔvapH 36.60 kJ/mol 354.0 NIST
ΔvapH 32.51 kJ/mol 392.7 NIST
ΔfusS 39.05 J/mol×K 153.2 NIST
ΔfusS 8.37 J/mol×K 239.8 NIST

Molecular Descriptors

Joback and Reid Groups
>C< (ring) 1
-CH3 2
-CH2- (ring) 5

Similar Compounds

1,1,4-Trimethylcyclohexane. 1,1,3,5-Tetramethylcyclohexane. Cyclohexane, 1,1,3,5-tetramethyl-, trans-. Cyclohexane, 1,1,3-trimethyl-. 1,1,3,3,5-Pentamethylcyclohexane. Cyclohexane, 1,1,3,5-tetramethyl-, cis-. Undecane, 6,6-dimethyl-. 3,3-Dimethyltridecane. 3,3-Dimethyltricosane. 3,3-Dimethylnonadecane. Octane, 2,6,6-trimethyl-. Cyclooctane, 1,1-dimethyl. 3,3-Dimethylpentacosane. Heptane, 2,5,5-trimethyl-. Nonane, 3,3-dimethyl.

Find more compounds similar to Cyclohexane, 1,1-dimethyl-.

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Outlier This icon means that the value is more than 2 standard deviations away from the property mean.