Chemical Properties of cis-Cyclohex-4-en-1,2-dicarboxylic acid, hexadecyl 3-methylbutyl ester

InChI

InChI=1S/C29H52O4/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-19-23-32-28(30)26-20-17-18-21-27(26)29(31)33-24-22-25(2)3/h17-18,25-27H,4-16,19-24H2,1-3H3

InChI Key

ORTDMZUJPDFFPI-UHFFFAOYSA-N

Formula

C29H52O4

SMILES

CCCCCCCCCCCCCCCCOC(=O)C1CC=CCC1C(=O)OCCC(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	1.1337		Relay (... Calculated Property
ΔfG°	-230.28	kJ/mol	Joback Calculated Property
ΔfH°gas	-1098.09	kJ/mol	Relay (... Calculated Property
ΔfusH°	67.05	kJ/mol	Joback Calculated Property
ΔvapH°	129.00	kJ/mol	Relay (... Calculated Property
IE	9.39	eV	Relay (... Calculated Property
log10WS	-7.77		Relay (... Calculated Property
logPoct/wat	8.183		Crippen Calculated Property
McVol	419.190	ml/mol	McGowan Calculated Property
Pc	732.84	kPa	Joback Calculated Property
Inp	[3156.00; 3156.00]
Inp	3156.00		NIST
Inp	3156.00		NIST
Tboil	678.19	K	Relay (... Calculated Property
Tc	877.44	K	Relay (... Calculated Property
Tfus	311.02	K	Relay (... Calculated Property
Vc	1.550	m3/kmol	Relay (... Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[1507.59; 1596.14]	J/mol×K	[1029.10; 1267.06]
Cp,gas	1507.59	J/mol×K	1029.10	Joback Calculated Property
Cp,gas	1527.59	J/mol×K	1068.76	Joback Calculated Property
Cp,gas	1545.40	J/mol×K	1108.42	Joback Calculated Property
Cp,gas	1561.09	J/mol×K	1148.08	Joback Calculated Property
Cp,gas	1574.73	J/mol×K	1187.74	Joback Calculated Property
Cp,gas	1586.39	J/mol×K	1227.40	Joback Calculated Property
Cp,gas	1596.14	J/mol×K	1267.06	Joback Calculated Property
η	[0.0000187; 0.0003927]	Pa×s	[549.81; 1029.10]
η	0.0003927	Pa×s	549.81	Joback Calculated Property
η	0.0001713	Pa×s	629.69	Joback Calculated Property
η	0.0000900	Pa×s	709.57	Joback Calculated Property
η	0.0000539	Pa×s	789.45	Joback Calculated Property
η	0.0000355	Pa×s	869.34	Joback Calculated Property
η	0.0000250	Pa×s	949.22	Joback Calculated Property
η	0.0000187	Pa×s	1029.10	Joback Calculated Property

Similar Compounds

Find more compounds similar to cis-Cyclohex-4-en-1,2-dicarboxylic acid, hexadecyl 3-methylbutyl ester.

Sources

• Cheméo Relay (1.0)
• Crippen Method
• Crippen Method
• Joback Method
• McGowan Method
• NIST Webbook

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