Chemical Properties of 1,2,3,4-tetramethylcyclohexane (CAS 3726-45-2)

1,2,3,4-tetramethylcyclohexane

InChI
InChI=1S/C10H20/c1-7-5-6-8(2)10(4)9(7)3/h7-10H,5-6H2,1-4H3
InChI Key
OOQVBBNTNKHXSN-UHFFFAOYSA-N
Formula
C10H20
SMILES
CC1CCC(C)C(C)C1C
Molecular Weight1
140.27
CAS
3726-45-2
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Physical Properties

Property Value Unit Source
ω 0.3035 Relay (1.0) Calculated Property
ΔfG° 34.64 kJ/mol Joback Calculated Property
ΔfH°gas -205.76 kJ/mol Relay (1.0) Calculated Property
ΔfusH° 16.70 kJ/mol Joback Calculated Property
ΔvapH° 47.81 kJ/mol Relay (1.0) Calculated Property
IE 9.16 eV Relay (1.0) Calculated Property
log10WS -5.16 Relay (1.0) Calculated Property
logPoct/wat 3.325 Crippen Calculated Property
McVol 140.900 ml/mol McGowan Calculated Property
Pc 2329.27 kPa Joback Calculated Property
Tboil 444.43 K Relay (1.0) Calculated Property
Tc 627.41 K Relay (1.0) Calculated Property
Tfus 216.33 K Relay (1.0) Calculated Property
Vc 0.498 m3/kmol Relay (1.0) Calculated Property

Correlations

Property Value Unit Temperature (K) Source
Cp,gas [186.30; 540.29] 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-5.39900e+01
Coefficient B9.96480e-01
Coefficient C-4.35000e-04
Coefficient D3.28000e-08
Coefficient E0.00000e+00
Temperature range, min.273.00
Temperature range, max.1000.00
Cp,gas 186.30 J/mol×K 273.00 Calculated Property
Cp,gas 245.55 J/mol×K 353.78 Calculated Property
Cp,gas 299.58 J/mol×K 434.56 Calculated Property
Cp,gas 348.50 J/mol×K 515.33 Calculated Property
Cp,gas 392.39 J/mol×K 596.11 Calculated Property
Cp,gas 431.38 J/mol×K 676.89 Calculated Property
Cp,gas 465.56 J/mol×K 757.67 Calculated Property
Cp,gas 495.04 J/mol×K 838.44 Calculated Property
Cp,gas 519.91 J/mol×K 919.22 Calculated Property
Cp,gas 540.29 J/mol×K 1000.00 Calculated Property
Property Value Unit Temperature (K) Source
η [0.0014826; 0.0002511] Pa×s [197.12; 440.78] 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-9.72643e+00
Coefficient B6.33240e+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.197.12
Temperature range, max.440.78
η 0.0014826 Pa×s 197.12 Calculated Property
η 0.0010059 Pa×s 224.19 Calculated Property
η 0.0007419 Pa×s 251.27 Calculated Property
η 0.0005807 Pa×s 278.34 Calculated Property
η 0.0004746 Pa×s 305.41 Calculated Property
η 0.0004009 Pa×s 332.48 Calculated Property
η 0.0003473 Pa×s 359.56 Calculated Property
η 0.0003070 Pa×s 386.63 Calculated Property
η 0.0002758 Pa×s 413.70 Calculated Property
η 0.0002511 Pa×s 440.78 Calculated Property
Property Value Unit Temperature (K) Source
Pvap [1.33; 202.63] kPa [329.36; 477.95] The Yaws Handbook of Vapor Pressure Show Hide
Equationln(Y) = A + B/(T + C)
Y is Pvap in kPa, T in K
Coefficient A1.42146e+01
Coefficient B-3.66744e+03
Coefficient C-6.60280e+01
Temperature range, min.329.36
Temperature range, max.477.95
Pvap 1.33 kPa 329.36 Calculated Property
Pvap 3.03 kPa 345.87 Calculated Property
Pvap 6.29 kPa 362.38 Calculated Property
Pvap 12.09 kPa 378.89 Calculated Property
Pvap 21.76 kPa 395.40 Calculated Property
Pvap 37.02 kPa 411.91 Calculated Property
Pvap 60.01 kPa 428.42 Calculated Property
Pvap 93.27 kPa 444.93 Calculated Property
Pvap 139.72 kPa 461.44 Calculated Property
Pvap 202.63 kPa 477.95 Calculated Property

Similar Compounds

Cyclohexane, 1,2,3-trimethyl-. Cyclohexane, 1,2,3-trimethyl-, (1«alpha»,2«beta»,3«alpha»)-. Cyclohexane, 1,2,3-trimethyl-, (1«alpha»,2«alpha»,3«alpha»)-. Cyclohexane, 1,2,3-trimethyl-, (1«alpha»,2«alpha»,3«beta»)-. 1-cis-2-trans-4-Trimethylcyclohexane. Cyclohexane, 1,2,4-trimethyl-, (1«alpha»,2«alpha»,4«beta»)-. cis,trans,trans-1,2,4-Trimethylcyclohexane. Cyclohexane, 1,2,4-trimethyl-, (1«alpha»,2«alpha»,4«alpha»)-. 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»)-. Cadinane. Naphthalene, decahydro-1,2-dimethyl-. cis,cis,cis-Bicyclo[4.4.0]decane, 2,3-dimethyl. cis,cis,trans-Bicyclo[4.4.0]decane, 2,7-dimethyl.

Find more compounds similar to 1,2,3,4-tetramethylcyclohexane.

Sources

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