Chemical Properties of Cyclohexane, 1,2,4-trimethyl- (CAS 2234-75-5)

Cyclohexane, 1,2,4-trimethyl-

InChI
InChI=1S/C9H18/c1-7-4-5-8(2)9(3)6-7/h7-9H,4-6H2,1-3H3
InChI Key
VCJPCEVERINRSG-UHFFFAOYSA-N
Formula
C9H18
SMILES
CC1CCC(C)C(C)C1
Molecular Weight1
126.24
CAS
2234-75-5
Other Names
  • 1,2,4-trimethylcyclohexane
  • 1,3,4-trimethylcyclohexane
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Physical Properties

Property Value Unit Source
ω 0.2804 Relay (1.0) Calculated Property
ΔfG° 33.93 kJ/mol Joback Calculated Property
ΔfH°gas -182.62 kJ/mol Relay (1.0) Calculated Property
ΔfusH° 13.04 kJ/mol Joback Calculated Property
ΔvapH° 45.93 kJ/mol Relay (1.0) Calculated Property
IE 9.38 eV NIST
log10WS -5.02 Relay (1.0) Calculated Property
logPoct/wat 3.079 Crippen Calculated Property
McVol 126.810 ml/mol McGowan Calculated Property
Pc 2648.83 kPa Joback Calculated Property
Inp [844.40; 881.00]   Show Hide
Inp 881.00 NIST
Inp 844.40 NIST
Inp 847.00 NIST
Inp 868.00 NIST
Inp 853.00 NIST
Inp 875.00 NIST
Inp 881.00 NIST
Inp 847.00 NIST
Tboil [409.00; 419.15] K Show Hide
Tboil 419.15 ± 1.20 K NIST
Tboil 414.37 ± 0.30 K NIST
Tboil 416.00 ± 2.00 K NIST
Tboil 414.00 ± 2.00 K NIST
Tboil 417.00 ± 2.00 K NIST
Tboil 411.00 ± 4.00 K NIST
Tboil 417.00 ± 2.00 K NIST
Tboil 417.00 ± 3.00 K NIST
Tboil 419.00 ± 3.00 K NIST
Tboil 409.00 ± 10.00 K NIST
Tboil 410.00 ± 5.00 K NIST
Tc 614.23 K Relay (1.0) Calculated Property
Tfus [186.75; 189.65] K Show Hide
Tfus 189.65 K Jean-Claude Bradley Open Melting Point Dataset (2014, CC0) Compiled value
Tfus 186.75 ± 0.50 K NIST
Vc 0.460 m3/kmol Relay (1.0) Calculated Property

Temperature Dependent Properties

Property Value Unit Temperature (K) Source
ρl [771.32; 790.80] kg/m3 [293.15; 318.15] Show Hide
ρl 790.80 kg/m3 293.15 Excess Molar Volume along with Viscosity and Refractive Index for Binary Systems of Tricyclo[5.2.1.0(2.6)]decane with Five Cycloalkanes
ρl 786.92 kg/m3 298.15 Excess Molar Volume along with Viscosity and Refractive Index for Binary Systems of Tricyclo[5.2.1.0(2.6)]decane with Five Cycloalkanes
ρl 783.03 kg/m3 303.15 Excess Molar Volume along with Viscosity and Refractive Index for Binary Systems of Tricyclo[5.2.1.0(2.6)]decane with Five Cycloalkanes
ρl 779.13 kg/m3 308.15 Excess Molar Volume along with Viscosity and Refractive Index for Binary Systems of Tricyclo[5.2.1.0(2.6)]decane with Five Cycloalkanes
ρl 775.23 kg/m3 313.15 Excess Molar Volume along with Viscosity and Refractive Index for Binary Systems of Tricyclo[5.2.1.0(2.6)]decane with Five Cycloalkanes
ρl 771.32 kg/m3 318.15 Excess Molar Volume along with Viscosity and Refractive Index for Binary Systems of Tricyclo[5.2.1.0(2.6)]decane with Five Cycloalkanes

Correlations

Property Value Unit Temperature (K) Source
Cp,gas [162.82; 482.04] J/mol×K [273.00; 1000.00] Joback Predicted correlation Show Hide
EquationY = A + B·T + C·T² + D·T³ + E·T⁴
Y is Cp,gas in J/mol×K, T in K
Coefficient A-5.90200e+01
Coefficient B9.27960e-01
Coefficient C-4.36000e-04
Coefficient D4.91000e-08
Coefficient E0.00000e+00
Temperature range, min.273.00
Temperature range, max.1000.00
Cp,gas 162.82 J/mol×K 273.00 Calculated Property
Cp,gas 216.88 J/mol×K 353.78 Calculated Property
Cp,gas 265.93 J/mol×K 434.56 Calculated Property
Cp,gas 310.12 J/mol×K 515.33 Calculated Property
Cp,gas 349.62 J/mol×K 596.11 Calculated Property
Cp,gas 384.57 J/mol×K 676.89 Calculated Property
Cp,gas 415.13 J/mol×K 757.67 Calculated Property
Cp,gas 441.46 J/mol×K 838.44 Calculated Property
Cp,gas 463.71 J/mol×K 919.22 Calculated Property
Cp,gas 482.04 J/mol×K 1000.00 Calculated Property
Property Value Unit Temperature (K) Source
η [0.0025256; 0.0002410] Pa×s [188.20; 429.71] Joback Predicted correlation Show Hide
EquationY = exp(A + B/T + C·ln(T) + D·T^E)
Y is η in Pa×s, T in K
Coefficient A-1.01618e+01
Coefficient B7.86770e+02
Coefficient C0.00000e+00
Coefficient D0.00000e+00
Coefficient E0.00000e+00
CommentLiquid phase. Joback/Reid (1987), valid from Tf to 0.7·Tc.
Temperature range, min.188.20
Temperature range, max.429.71
η 0.0025256 Pa×s 188.20 Calculated Property
η 0.0014990 Pa×s 215.03 Calculated Property
η 0.0009988 Pa×s 241.87 Calculated Property
η 0.0007218 Pa×s 268.70 Calculated Property
η 0.0005533 Pa×s 295.54 Calculated Property
η 0.0004433 Pa×s 322.37 Calculated Property
η 0.0003675 Pa×s 349.21 Calculated Property
η 0.0003129 Pa×s 376.04 Calculated Property
η 0.0002722 Pa×s 402.87 Calculated Property
η 0.0002410 Pa×s 429.71 Calculated Property

Similar Compounds

Cyclohexane, 1,2,4-trimethyl-, (1«alpha»,2«beta»,4«alpha»)-. cis,trans,trans-1,2,4-Trimethylcyclohexane. Cyclohexane, 1,2,4-trimethyl-, (1«alpha»,2«alpha»,4«beta»)-. Cyclohexane, 1,2,4-trimethyl-, (1«alpha»,2«beta»,4«beta»)-. Cyclohexane, 1,2,4-trimethyl-, (1«alpha»,2«alpha»,4«alpha»)-. 1-cis-2-trans-4-Trimethylcyclohexane. 1,2,3,4-tetramethylcyclohexane. Cyclohexane, 1,2,3-trimethyl-, (1«alpha»,2«alpha»,3«alpha»)-. Cyclohexane, 1,2,3-trimethyl-, (1«alpha»,2«alpha»,3«beta»)-. Cyclohexane, 1,2,3-trimethyl-, (1«alpha»,2«beta»,3«alpha»)-. Cyclohexane, 1,2,3-trimethyl-. cis,cis,trans-Bicyclo[4.4.0]decane, 3,4-dimethyl. 1,3-Diisopropylcyclohexane. Cyclohexane, 1-(cyclohexylmethyl)-2-methyl-, trans-. trans,trans,cis-Bicyclo[4.4.0]decane, 3,4-dimethyl.

Find more compounds similar to Cyclohexane, 1,2,4-trimethyl-.

Mixtures

Sources

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