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

• ω : Acentric Factor.
• C_p,gas : Ideal gas heat capacity (J/mol×K).
• η : Dynamic viscosity (Pa×s).
• Δ_fG° : Standard Gibbs free energy of formation (kJ/mol).
• 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).
• log₁₀WS : Log10 of Water solubility in mol/l.
• logP_oct/wat : Octanol/Water partition coefficient.
• McVol : McGowan's characteristic volume (ml/mol).
• P_c : Critical Pressure (kPa).
• I_np : Non-polar retention indices.
• T_boil : Normal Boiling Point Temperature (K).
• T_c : Critical Temperature (K).
• T_fus : Normal melting (fusion) point (K).
• V_c : Critical Volume (m³/kmol).
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Property	Value	Unit	Source
ω	1.0972		Relay (1.0) Calculated Property
ΔfG°	-232.72	kJ/mol	Joback Calculated Property
ΔfH°gas	-1108.68	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	63.52	kJ/mol	Joback Calculated Property
ΔvapH°	125.70	kJ/mol	Relay (1.0) Calculated Property
IE	9.26	eV	Relay (1.0) 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
Pc	736.02	kPa	Joback Calculated Property
Inp	[3142.00; 3142.00]
Inp	3142.00		NIST
Inp	3142.00		NIST
Tboil	677.23	K	Relay (1.0) Calculated Property
Tc	878.76	K	Relay (1.0) Calculated Property
Tfus	307.51	K	Relay (1.0) Calculated Property
Vc	1.530	m3/kmol	Relay (1.0) Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[1507.83; 1595.37]	J/mol×K	[1028.66; 1265.06]
Cp,gas	1507.83	J/mol×K	1028.66	Joback Calculated Property
Cp,gas	1527.64	J/mol×K	1068.06	Joback Calculated Property
Cp,gas	1545.26	J/mol×K	1107.46	Joback Calculated Property
Cp,gas	1560.78	J/mol×K	1146.86	Joback Calculated Property
Cp,gas	1574.26	J/mol×K	1186.26	Joback Calculated Property
Cp,gas	1585.76	J/mol×K	1225.66	Joback Calculated Property
Cp,gas	1595.37	J/mol×K	1265.06	Joback Calculated Property
η	[0.0000170; 0.0004428]	Pa×s	[534.81; 1028.66]
η	0.0004428	Pa×s	534.81	Joback Calculated Property
η	0.0001789	Pa×s	617.12	Joback Calculated Property
η	0.0000895	Pa×s	699.43	Joback Calculated Property
η	0.0000518	Pa×s	781.74	Joback Calculated Property
η	0.0000332	Pa×s	864.04	Joback Calculated Property
η	0.0000231	Pa×s	946.35	Joback Calculated Property
η	0.0000170	Pa×s	1028.66	Joback 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)
• Crippen Method
• Crippen Method
• Joback Method
• McGowan Method
• NIST Webbook

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