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

Physical Properties

Property Value Unit Source
ω 0.2380 KDB
AP 318.550 K KDB
Δcliquid [-5241.30; -5216.00] kJ/mol Show Hide
Δcliquid -5216.00 ± 1.90 kJ/mol NIST
Δcliquid -5241.30 kJ/mol NIST
Δf 35.25 kJ/mol KDB
Δc,grossH 5215.98 kJ/mol KDB
Δc,netH 4863.900 kJ/mol KDB
Δfgas -181.10 kJ/mol KDB
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 [9.42; 9.50] eV Show Hide
IE 9.50 ± 0.05 eV NIST
IE 9.42 eV NIST
log10WS -2.82 Crippen Calculated Property
logPoct/wat 2.977 Crippen Calculated Property
McVol 112.720 ml/mol McGowan Calculated Property
Pc 2960.00 kPa KDB
Inp [778.00; 797.90]   Show Hide
Inp 789.80 NIST
Inp 780.00 NIST
Inp 795.00 NIST
Inp 786.40 NIST
Inp 786.90 NIST
Inp 792.00 NIST
Inp 779.80 NIST
Inp 782.60 NIST
Inp 785.40 NIST
Inp 788.50 NIST
Inp 787.10 NIST
Inp 786.10 NIST
Inp 786.50 NIST
Inp 783.00 NIST
Inp 783.00 NIST
Inp 782.00 NIST
Inp 797.60 NIST
Inp 797.70 NIST
Inp 791.30 NIST
Inp 792.70 NIST
Inp 787.00 NIST
Inp 793.00 NIST
Inp 784.00 NIST
Inp 788.00 NIST
Inp 789.00 NIST
Inp 792.00 NIST
Inp 796.00 NIST
Inp 786.00 NIST
Inp 784.00 NIST
Inp 784.00 NIST
Inp 792.00 NIST
Inp 778.00 NIST
Inp 780.30 NIST
Inp 783.00 NIST
Inp 784.20 NIST
Inp 778.31 NIST
Inp 782.50 NIST
Inp 779.57 NIST
Inp 780.00 NIST
Inp 778.00 NIST
Inp 791.12 NIST
Inp 787.00 NIST
Inp 797.00 NIST
Inp 784.00 NIST
Inp 792.00 NIST
Inp 782.00 NIST
Inp 788.00 NIST
Inp 791.00 NIST
Inp 782.00 NIST
Inp 780.00 NIST
Inp 783.00 NIST
Inp 785.00 NIST
Inp 786.60 NIST
Inp 788.60 NIST
Inp 791.70 NIST
Inp 794.10 NIST
Inp 796.10 NIST
Inp 797.90 NIST
Inp 786.00 NIST
Inp 787.00 NIST
Inp 789.00 NIST
Inp 791.00 NIST
Inp 793.00 NIST
Inp 794.00 NIST
Inp 792.00 NIST
Inp 784.00 NIST
Inp 791.12 NIST
gas 364.93 J/mol×K NIST
liquid 267.23 J/mol×K NIST
Tboil 392.70 K KDB
Tc 591.00 K KDB
Tfus [237.95; 239.70] K Show Hide
Tfus 239.70 K KDB
Tfus 239.13 ± 0.20 K NIST
Tfus 239.61 ± 0.07 K NIST
Tfus 237.95 ± 0.50 K NIST
Ttriple [239.81; 239.81] K Show Hide
Ttriple 239.81 ± 0.05 K NIST
Ttriple 239.81 ± 0.05 K NIST
Vc 0.416 m3/kmol KDB
Zc 0.2505880 KDB

Temperature Dependent Properties

Property Value Unit Temperature (K) Source
Cp,gas [213.43; 306.89] J/mol×K [402.23; 612.48] Show Hide
Cp,gas 213.43 J/mol×K 402.23 Joback Calculated Property
Cp,gas 231.81 J/mol×K 437.27 Joback Calculated Property
Cp,gas 248.93 J/mol×K 472.31 Joback Calculated Property
Cp,gas 264.90 J/mol×K 507.35 Joback Calculated Property
Cp,gas 279.81 J/mol×K 542.39 Joback Calculated Property
Cp,gas 293.78 J/mol×K 577.44 Joback Calculated Property
Cp,gas 306.89 J/mol×K 612.48 Joback Calculated Property
Cp,liquid 209.24 J/mol×K 298.15 NIST
ΔfusH [2.01; 5.98] kJ/mol [153.20; 239.80] Show Hide
ΔfusH 5.98 kJ/mol 153.20 NIST
ΔfusH 2.01 kJ/mol 239.80 NIST
ΔfusH 2.01 kJ/mol 239.80 NIST
ΔvapH [32.51; 39.60] kJ/mol [287.00; 392.70] Show Hide
ΔvapH 39.60 ± 0.10 kJ/mol 287.00 NIST
ΔvapH 36.60 kJ/mol 354.00 NIST
ΔvapH 32.59 kJ/mol 392.70 KDB
ΔvapH 32.51 kJ/mol 392.70 NIST
n0 1.42662 298.15 KDB
ρl 785.00 kg/m3 289.00 KDB
ΔfusS [8.37; 39.05] J/mol×K [153.20; 239.80] Show Hide
ΔfusS 39.05 J/mol×K 153.20 NIST
ΔfusS 8.37 J/mol×K 239.80 NIST
γ 0.02 N/m 293.20 KDB

Correlations

Property Value Unit Temperature (K) Source
Pvap [1.33; 202.66] kPa [282.96; 421.08] The Yaw... Show Hide
Equationln(Pvp) = A + B/(T + C)
Coefficient A1.37664e+01
Coefficient B-3.13309e+03
Coefficient C-5.05140e+01
Temperature range, min.282.96
Temperature range, max.421.08
Pvap 1.33 kPa 282.96 Calculated Property
Pvap 3.07 kPa 298.31 Calculated Property
Pvap 6.42 kPa 313.65 Calculated Property
Pvap 12.38 kPa 329.00 Calculated Property
Pvap 22.28 kPa 344.35 Calculated Property
Pvap 37.82 kPa 359.69 Calculated Property
Pvap 61.07 kPa 375.04 Calculated Property
Pvap 94.44 kPa 390.39 Calculated Property
Pvap 140.65 kPa 405.73 Calculated Property
Pvap 202.66 kPa 421.08 Calculated Property
Pvap [0.06; 2949.34] kPa [239.66; 591.15] KDB Vap... Show Hide
Equationln(Pvp) = A + B/T + C*ln(T) + D*T^2
Coefficient A7.41338e+01
Coefficient B-6.91909e+03
Coefficient C-8.82986e+00
Coefficient D5.47352e-06
Temperature range, min.239.66
Temperature range, max.591.15
Pvap 0.06 kPa 239.66 Calculated Property
Pvap 1.02 kPa 278.71 Calculated Property
Pvap 7.70 kPa 317.77 Calculated Property
Pvap 34.63 kPa 356.82 Calculated Property
Pvap 110.11 kPa 395.88 Calculated Property
Pvap 275.26 kPa 434.93 Calculated Property
Pvap 580.28 kPa 473.99 Calculated Property
Pvap 1082.05 kPa 513.04 Calculated Property
Pvap 1845.50 kPa 552.10 Calculated Property
Pvap 2949.34 kPa 591.15 Calculated Property

Similar Compounds

Cyclooctane, 1,1-dimethyl. 1,1,10,10-Tetramethylcyclooctadecane. Cycloheptane, 1,1-dimethyl. 1,1,4,4,10,10,13,13-Octamethyl-cyclooctadecane. Cyclododecane, 1,1,4,4-tetramethyl-. Undecane, 5,5-dimethyl-. Undecane, 6,6-dimethyl-. Undecane, 4,4-dimethyl-. Cyclohexane, 1-ethyl-1-methyl-. 3,3-Dimethylheptadecane. Undecane, 3,3-dimethyl-. Nonane, 3,3-dimethyl. 3,3-Dimethyltridecane. 3,3-Dimethylnonadecane. 3,3-Dimethylpentadecane.

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

Sources

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