Chemical Properties of Cyclohexane, 1r,2c,4t-tris-ethenyl

InChI

InChI=1S/C12H18/c1-4-10-7-8-11(5-2)12(6-3)9-10/h4-6,10-12H,1-3,7-9H2/t10-,11-,12+/m1/s1

InChI Key

KTRQRAQRHBLCSQ-UTUOFQBUSA-N

Formula

C12H18

SMILES

C=CC1CCC(C=C)C(C=C)C1

Molecular Weight¹

162.27

• C_p,gas : Ideal gas heat capacity (J/mol×K).
• η : Dynamic viscosity (Pa×s).
• Δ_fH°_gas : Enthalpy of formation at standard conditions (kJ/mol).
• Δ_fusH° : Enthalpy of fusion at standard conditions (kJ/mol).
• Δ_vapH° : Enthalpy of vaporization at standard conditions (kJ/mol).
• IE : Ionization energy (eV).
• logP_oct/wat : Octanol/Water partition coefficient.
• McVol : McGowan's characteristic volume (ml/mol).
• I_np : Non-polar retention indices.
• T_boil : Normal Boiling Point Temperature (K).
• T_fus : Normal melting (fusion) point (K).
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Cheméo can also estimate Critical Temperature, Critical Pressure, Critical Volume, Standard Gibbs free energy of formation, Acentric Factor, Log10 of Water solubility in mol/l for this compound, but they fall outside the models' validated range, so they are not shown here. Open the prediction tool to compute them on demand.

Correlations

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[197.03; 551.28]	J/mol×K	[273.00; 1000.00]	Joback Predicted correlation
Equation			Y = A + B·T + C·T² + D·T³ + E·T⁴ Y is Cp,gas in J/mol×K, T in K
Coefficient A			-7.07200e+01
Coefficient B			1.15290e+00
Coefficient C			-6.67900e-04
Coefficient D			1.37000e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	197.03	J/mol×K	273.00	Calculated Property
Cp,gas	259.62	J/mol×K	353.78	Calculated Property
Cp,gas	315.40	J/mol×K	434.56	Calculated Property
Cp,gas	364.78	J/mol×K	515.33	Calculated Property
Cp,gas	408.22	J/mol×K	596.11	Calculated Property
Cp,gas	446.14	J/mol×K	676.89	Calculated Property
Cp,gas	478.97	J/mol×K	757.67	Calculated Property
Cp,gas	507.15	J/mol×K	838.44	Calculated Property
Cp,gas	531.11	J/mol×K	919.22	Calculated Property
Cp,gas	551.28	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0022430; 0.0002593]	Pa×s	[218.62; 475.12]	Joback Predicted correlation
Equation			Y = exp(A + B/T + C·ln(T) + D·T^E) Y is η in Pa×s, T in K
Coefficient A			-1.00967e+01
Coefficient B			8.73770e+02
Coefficient C			0.00000e+00
Coefficient D			0.00000e+00
Coefficient E			0.00000e+00
Temperature range, min.			218.62
Temperature range, max.			475.12
η	0.0022430	Pa×s	218.62	Calculated Property
η	0.0014146	Pa×s	247.12	Calculated Property
η	0.0009814	Pa×s	275.62	Calculated Property
η	0.0007292	Pa×s	304.12	Calculated Property
η	0.0005701	Pa×s	332.62	Calculated Property
η	0.0004633	Pa×s	361.12	Calculated Property
η	0.0003882	Pa×s	389.62	Calculated Property
η	0.0003331	Pa×s	418.12	Calculated Property
η	0.0002915	Pa×s	446.62	Calculated Property
η	0.0002593	Pa×s	475.12	Calculated Property

Similar Compounds

Find more compounds similar to Cyclohexane, 1r,2c,4t-tris-ethenyl.

Sources

• Cheméo Relay (1.0)
• Cheméo Relay (1.0, beta) Beta: served but experimental, data-limited and below our cross-validation release bar; the Joback value is recommended where available.
• Crippen Method
• Crippen Method
• Joback Method
• McGowan Method
• NIST Webbook

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