Chemical Properties of 2-Butenedioic acid (E)-, bis[5-methyl-2-(1-methylethyl)cyclohexyl] ester, [1R-[1«alpha»(1R*,2S*,5R*),2«beta»,5«alpha»]]- (CAS 34675-24-6)

InChI

InChI=1S/C24H40O4/c1-15(2)19-9-7-17(5)13-21(19)27-23(25)11-12-24(26)28-22-14-18(6)8-10-20(22)16(3)4/h11-12,15-22H,7-10,13-14H2,1-6H3/b12-11+

InChI Key

HTJZKHLYRXPLLS-VAWYXSNFSA-N

Formula

C24H40O4

SMILES

CC1CCC(C(C)C)C(OC(=O)C=CC(=O)OC2CC(C)CCC2C(C)C)C1

Molecular Weight¹

392.57

CAS

34675-24-6

Other Names

• Menthol, fumarate (2:1), (1R,3R,4S)-

• C_p,gas : Ideal gas heat capacity (J/mol×K).
• η : Dynamic viscosity (Pa×s).
• Δ_fusH° : Enthalpy of fusion at standard conditions (kJ/mol).
• Δ_vapH° : Enthalpy of vaporization at standard conditions (kJ/mol).
• logP_oct/wat : Octanol/Water partition coefficient.
• McVol : McGowan's characteristic volume (ml/mol).
• T_boil : Normal Boiling Point Temperature (K).
• T_boilr : Boiling point at reduced pressure (K).
• T_c : Critical 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 Pressure, Critical Volume, Enthalpy of formation at standard conditions, Standard Gibbs free energy of formation, Acentric Factor, Ionization energy, 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.

Pressure Dependent Properties

Correlations

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[465.48; 1241.01]	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			-9.31100e+01
Coefficient B			2.34432e+00
Coefficient C			-1.12320e-03
Coefficient D			1.13000e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	465.48	J/mol×K	273.00	Calculated Property
Cp,gas	600.68	J/mol×K	353.78	Calculated Property
Cp,gas	722.80	J/mol×K	434.56	Calculated Property
Cp,gas	832.17	J/mol×K	515.33	Calculated Property
Cp,gas	929.17	J/mol×K	596.11	Calculated Property
Cp,gas	1014.15	J/mol×K	676.89	Calculated Property
Cp,gas	1087.47	J/mol×K	757.67	Calculated Property
Cp,gas	1149.48	J/mol×K	838.44	Calculated Property
Cp,gas	1200.54	J/mol×K	919.22	Calculated Property
Cp,gas	1241.01	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0017589; 0.0000805]	Pa×s	[407.62; 773.18]	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			-1.28673e+01
Coefficient B			2.65938e+03
Coefficient C			0.00000e+00
Coefficient D			0.00000e+00
Coefficient E			0.00000e+00
Comment			Liquid phase. Joback/Reid (1987), valid from Tf to 0.7·Tc.
Temperature range, min.			407.62
Temperature range, max.			773.18
η	0.0017589	Pa×s	407.62	Calculated Property
η	0.0009738	Pa×s	448.24	Calculated Property
η	0.0005948	Pa×s	488.86	Calculated Property
η	0.0003919	Pa×s	529.47	Calculated Property
η	0.0002740	Pa×s	570.09	Calculated Property
η	0.0002009	Pa×s	610.71	Calculated Property
η	0.0001531	Pa×s	651.33	Calculated Property
η	0.0001205	Pa×s	691.95	Calculated Property
η	0.0000974	Pa×s	732.56	Calculated Property
η	0.0000805	Pa×s	773.18	Calculated Property

Similar Compounds

Find more compounds similar to 2-Butenedioic acid (E)-, bis[5-methyl-2-(1-methylethyl)cyclohexyl] ester, [1R-[1«alpha»(1R*,2S*,5R*),2«beta»,5«alpha»]]-.

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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