Chemical Properties of cis-Cyclohex-4-en-1,2-dicarboxylic acid, 2-methylpent-3-yl pentadecyl ester

InChI

InChI=1S/C29H52O4/c1-5-7-8-9-10-11-12-13-14-15-16-17-20-23-32-28(30)25-21-18-19-22-26(25)29(31)33-27(6-2)24(3)4/h18-19,24-27H,5-17,20-23H2,1-4H3

InChI Key

HYHXGSKODIMAPX-UHFFFAOYSA-N

Formula

C29H52O4

SMILES

CCCCCCCCCCCCCCCOC(=O)C1CC=CCC1C(=O)OC(CC)C(C)C

Molecular Weight¹

464.72

• 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).
• log₁₀WS : Log10 of Water solubility in mol/l.
• 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

Property	Value	Unit	Source
ΔfusH°	66.69	kJ/mol	Joback Calculated Property
log10WS	-7.48		Relay (1.0) Calculated Property
logPoct/wat	8.181		Crippen Calculated Property
McVol	419.190	ml/mol	McGowan Calculated Property
Inp	[3142.00; 3142.00]
Inp	3142.00		NIST
Inp	3142.00		NIST
Tboil	677.23	K	Relay (1.0) Calculated Property
Tfus	302.83	K	Relay (1.0) Calculated Property

Cheméo can also estimate Critical Temperature, Critical Pressure, Critical Volume, Enthalpy of formation at standard conditions, Enthalpy of vaporization at standard conditions, Standard Gibbs free energy of formation, Acentric Factor, Ionization energy 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	[610.40; 1493.20]	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			-2.79050e+01
Coefficient B			2.70068e+00
Coefficient C			-1.38388e-03
Coefficient D			2.04300e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	610.40	J/mol×K	273.00	Calculated Property
Cp,gas	763.38	J/mol×K	353.78	Calculated Property
Cp,gas	901.13	J/mol×K	434.56	Calculated Property
Cp,gas	1024.29	J/mol×K	515.33	Calculated Property
Cp,gas	1133.52	J/mol×K	596.11	Calculated Property
Cp,gas	1229.45	J/mol×K	676.89	Calculated Property
Cp,gas	1312.74	J/mol×K	757.67	Calculated Property
Cp,gas	1384.03	J/mol×K	838.44	Calculated Property
Cp,gas	1443.97	J/mol×K	919.22	Calculated Property
Cp,gas	1493.19	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0007180; 0.0000233]	Pa×s	[475.15; 853.08]	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			-1.49775e+01
Coefficient B			3.67698e+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.			475.15
Temperature range, max.			853.08
η	0.0007180	Pa×s	475.15	Calculated Property
η	0.0003830	Pa×s	517.14	Calculated Property
η	0.0002246	Pa×s	559.14	Calculated Property
η	0.0001418	Pa×s	601.13	Calculated Property
η	0.0000951	Pa×s	643.12	Calculated Property
η	0.0000670	Pa×s	685.11	Calculated Property
η	0.0000492	Pa×s	727.11	Calculated Property
η	0.0000373	Pa×s	769.10	Calculated Property
η	0.0000291	Pa×s	811.09	Calculated Property
η	0.0000233	Pa×s	853.08	Calculated Property

Similar Compounds

Find more compounds similar to cis-Cyclohex-4-en-1,2-dicarboxylic acid, 2-methylpent-3-yl pentadecyl ester.

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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