Chemical Properties of cis-Cyclohex-4-en-1,2-dicarboxylic acid, 2-ethylhexyl pentyl ester

InChI

InChI=1S/C21H36O4/c1-4-7-11-15-24-20(22)18-13-9-10-14-19(18)21(23)25-16-17(6-3)12-8-5-2/h9-10,17-19H,4-8,11-16H2,1-3H3

InChI Key

UVVGNMMXKYGMTL-UHFFFAOYSA-N

Formula

C21H36O4

SMILES

CCCCCOC(=O)C1CC=CCC1C(=O)OCC(CC)CCCC

Molecular Weight¹

352.51

• 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).
• 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
ΔfG°	-297.64	kJ/mol	Joback Calculated Property
ΔfH°gas	-879.89	kJ/mol	Joback Calculated Property
ΔfusH°	46.32	kJ/mol	Joback Calculated Property
ΔvapH°	80.68	kJ/mol	Joback Calculated Property
log10WS	-5.36		Crippen Calculated Property
logPoct/wat	5.062		Crippen Calculated Property
McVol	306.470	ml/mol	McGowan Calculated Property
Pc	1168.02	kPa	Joback Calculated Property
Inp	[2304.00; 2304.00]
Inp	2304.00		NIST
Inp	2304.00		NIST
Tboil	846.06	K	Joback Calculated Property
Tc	1044.69	K	Joback Calculated Property
Tfus	459.65	K	Joback Calculated Property
Vc	1.171	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[1002.95; 1095.45]	J/mol×K	[846.06; 1044.69]
Cp,gas	1002.95	J/mol×K	846.06	Joback Calculated Property
Cp,gas	1021.70	J/mol×K	879.16	Joback Calculated Property
Cp,gas	1039.10	J/mol×K	912.27	Joback Calculated Property
Cp,gas	1055.15	J/mol×K	945.37	Joback Calculated Property
Cp,gas	1069.87	J/mol×K	978.48	Joback Calculated Property
Cp,gas	1083.30	J/mol×K	1011.58	Joback Calculated Property
Cp,gas	1095.45	J/mol×K	1044.69	Joback Calculated Property
η	[0.0000608; 0.0010253]	Pa×s	[459.65; 846.06]
η	0.0010253	Pa×s	459.65	Joback Calculated Property
η	0.0004795	Pa×s	524.05	Joback Calculated Property
η	0.0002648	Pa×s	588.45	Joback Calculated Property
η	0.0001644	Pa×s	652.86	Joback Calculated Property
η	0.0001112	Pa×s	717.26	Joback Calculated Property
η	0.0000802	Pa×s	781.66	Joback Calculated Property
η	0.0000608	Pa×s	846.06	Joback Calculated Property

Similar Compounds

Find more compounds similar to cis-Cyclohex-4-en-1,2-dicarboxylic acid, 2-ethylhexyl pentyl ester.

Sources

• Crippen Method
• Crippen Method
• Joback Method
• McGowan Method
• NIST Webbook

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