Chemical Properties of Cyclohexane, 1,2,3-trimethyl-, (1«alpha»,2«beta»,3«alpha»)- (CAS 1678-81-5)

Cyclohexane, 1,2,3-trimethyl-, (1«alpha»,2«beta»,3«alpha»)-

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InChI
InChI=1S/C9H18/c1-7-5-4-6-8(2)9(7)3/h7-9H,4-6H2,1-3H3/t7-,8+,9+
InChI Key
DQTVJLHNWPRPPH-BRPSZJMVSA-N
Formula
C9H18
SMILES
CC1CCCC(C)C1C
Molecular Weight1
126.24
CAS
1678-81-5
Other Names
  • 1,2,3-Trimethylcyclohexane, (1«alpha»,2«beta»,3«alpha»)-
  • 1,2,3-Trimethylcyclohexane, (1«alpha»,2«beta»,3«alpha»)-
  • 1,2,3-Trimethylcyclohexane, trans,trans
  • 1,trans-2,cis-3-Trimethylcyclohexane
  • Cyclohexane, 1,2,3-trimethyl-, stereoisomer
  • Cyclohexane, 1,2,3-trimethyl-, trans
  • c,t,c-1,2,3-Trimethylcyclohexane
  • cis,trans,cis-1,2,3-Trimethylcyclohexane
  • trans-1,2,3-Trimethylcyclohexane
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Physical Properties

Property Value Unit Source
Δf 33.93 kJ/mol Joback Calculated Property
Δfgas -215.45 kJ/mol Joback Calculated Property
Δfus 13.04 kJ/mol Joback Calculated Property
Δvap 35.44 kJ/mol Joback Calculated Property
log10WS -2.76 Crippen 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 [853.00; 900.00]   Show Hide
Inp 853.00 NIST
Inp 853.60 NIST
Inp 888.00 NIST
Inp 877.00 NIST
Inp 881.00 NIST
Inp 883.00 NIST
Inp 890.00 NIST
Inp 890.00 NIST
Inp 877.00 NIST
Inp 854.00 NIST
Inp 867.00 NIST
Inp Outlier 900.00 NIST
Inp 874.10 NIST
Inp 863.57 NIST
Inp 867.65 NIST
Inp 870.20 NIST
Inp 867.92 NIST
Inp 872.06 NIST
Inp 874.78 NIST
Inp 867.00 NIST
Tboil 418.76 ± 0.30 K NIST
Tc 613.57 K Joback Calculated Property
Tfus 206.29 ± 0.20 K NIST
Vc 0.470 m3/kmol Joback Calculated Property

Temperature Dependent Properties

Property Value Unit Temperature (K) Source
Cp,gas [254.82; 357.55] J/mol×K [415.53; 613.57] Show Hide
Cp,gas 254.82 J/mol×K 415.53 Joback Calculated Property
Cp,gas 273.92 J/mol×K 448.54 Joback Calculated Property
Cp,gas 292.21 J/mol×K 481.54 Joback Calculated Property
Cp,gas 309.72 J/mol×K 514.55 Joback Calculated Property
Cp,gas 326.43 J/mol×K 547.56 Joback Calculated Property
Cp,gas 342.37 J/mol×K 580.57 Joback Calculated Property
Cp,gas 357.55 J/mol×K 613.57 Joback Calculated Property
η [0.0002565; 0.0024227] Pa×s [190.09; 415.53] Show Hide
η 0.0024227 Pa×s 190.09 Joback Calculated Property
η 0.0012236 Pa×s 227.66 Joback Calculated Property
η 0.0007500 Pa×s 265.24 Joback Calculated Property
η 0.0005190 Pa×s 302.81 Joback Calculated Property
η 0.0003896 Pa×s 340.38 Joback Calculated Property
η 0.0003096 Pa×s 377.96 Joback Calculated Property
η 0.0002565 Pa×s 415.53 Joback Calculated Property

Correlations

Property Value Unit Temperature (K) Source
Pvap [1.33; 202.63] kPa [296.67; 449.42] The Yaw... Show Hide
Equationln(Pvp) = A + B/(T + C)
Coefficient A1.41372e+01
Coefficient B-3.71653e+03
Coefficient C-2.83230e+01
Temperature range, min.296.67
Temperature range, max.449.42
Pvap 1.33 kPa 296.67 Calculated Property
Pvap 3.04 kPa 313.64 Calculated Property
Pvap 6.31 kPa 330.61 Calculated Property
Pvap 12.14 kPa 347.59 Calculated Property
Pvap 21.84 kPa 364.56 Calculated Property
Pvap 37.15 kPa 381.53 Calculated Property
Pvap 60.19 kPa 398.50 Calculated Property
Pvap 93.46 kPa 415.48 Calculated Property
Pvap 139.87 kPa 432.45 Calculated Property
Pvap 202.63 kPa 449.42 Calculated Property

Similar Compounds

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

Find more compounds similar to Cyclohexane, 1,2,3-trimethyl-, (1«alpha»,2«beta»,3«alpha»)-.

Sources

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