Chemical Properties of Cyclohexane, 1,2,3-trimethyl- (CAS 1678-97-3)

Cyclohexane, 1,2,3-trimethyl-

InChI
InChI=1S/C9H18/c1-7-5-4-6-8(2)9(7)3/h7-9H,4-6H2,1-3H3
InChI Key
DQTVJLHNWPRPPH-UHFFFAOYSA-N
Formula
C9H18
SMILES
CC1CCCC(C)C1C
Molecular Weight1
126.24
CAS
1678-97-3
Other Names
  • 1,2,3-Trimethylcyclohexane
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Physical Properties

Property Value Unit Source
ω 0.2737 Relay (1.0) Calculated Property
ΔfG° 33.93 kJ/mol Joback Calculated Property
ΔfH°gas -194.27 kJ/mol Relay (1.0) Calculated Property
ΔfusH° 13.04 kJ/mol Joback Calculated Property
ΔvapH° 42.00 kJ/mol Relay (1.0) Calculated Property
IE 9.30 eV Relay (1.0) Calculated Property
log10WS -4.82 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
Tboil 424.25 ± 1.00 K NIST
Tc 619.04 K Relay (1.0) Calculated Property
Tfus 196.85 K Jean-Claude Bradley Open Melting Point Dataset (2014, CC0) Compiled value
Vc 0.445 m3/kmol Relay (1.0) Calculated Property

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 [0.0021017; 0.0002410] Pa×s [196.85; 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.196.85
Temperature range, max.429.71
η 0.0021017 Pa×s 196.85 Calculated Property
η 0.0013211 Pa×s 222.72 Calculated Property
η 0.0009147 Pa×s 248.60 Calculated Property
η 0.0006787 Pa×s 274.47 Calculated Property
η 0.0005302 Pa×s 300.34 Calculated Property
η 0.0004308 Pa×s 326.22 Calculated Property
η 0.0003608 Pa×s 352.09 Calculated Property
η 0.0003096 Pa×s 377.96 Calculated Property
η 0.0002710 Pa×s 403.84 Calculated Property
η 0.0002410 Pa×s 429.71 Calculated Property
Property Value Unit Temperature (K) Source
Pvap [1.33; 202.67] kPa [304.62; 455.01] The Yaws Handbook of Vapor Pressure Show Hide
Equationln(Y) = A + B/(T + C)
Y is Pvap in kPa, T in K
Coefficient A1.35983e+01
Coefficient B-3.30183e+03
Coefficient C-5.65620e+01
Temperature range, min.304.62
Temperature range, max.455.01
Pvap 1.33 kPa 304.62 Calculated Property
Pvap 3.09 kPa 321.33 Calculated Property
Pvap 6.48 kPa 338.04 Calculated Property
Pvap 12.49 kPa 354.75 Calculated Property
Pvap 22.49 kPa 371.46 Calculated Property
Pvap 38.14 kPa 388.17 Calculated Property
Pvap 61.49 kPa 404.88 Calculated Property
Pvap 94.91 kPa 421.59 Calculated Property
Pvap 141.01 kPa 438.30 Calculated Property
Pvap 202.67 kPa 455.01 Calculated Property

Similar Compounds

Cyclohexane, 1,2,3-trimethyl-, (1«alpha»,2«beta»,3«alpha»)-. Cyclohexane, 1,2,3-trimethyl-, (1«alpha»,2«alpha»,3«beta»)-. Cyclohexane, 1,2,3-trimethyl-, (1«alpha»,2«alpha»,3«alpha»)-. 1,2,3,4-tetramethylcyclohexane. Cyclohexane, 1,2,4-trimethyl-. Cyclohexane, 1,2,4-trimethyl-, (1«alpha»,2«alpha»,4«beta»)-. 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«alpha»)-. 1-cis-2-trans-4-Trimethylcyclohexane. Cyclohexane, 1,2,4-trimethyl-, (1«alpha»,2«beta»,4«beta»)-. cis,cis,cis-Bicyclo[4.4.0]decane, 2,10-dimethyl. cis,trans-Bicyclo[4.4.0]decane, 2-methyl. trans-Decalin, 1a-methyl. trans,trans,cis-Bicyclo[4.4.0]decane, 2,10-dimethyl.

Find more compounds similar to Cyclohexane, 1,2,3-trimethyl-.

Sources

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