Chemical Properties of cis-Cyclohex-4-en-1,2-dicarboxylic acid, 2-ethylbutyl propyl ester

InChI

InChI=1S/C17H28O4/c1-4-11-20-16(18)14-9-7-8-10-15(14)17(19)21-12-13(5-2)6-3/h7-8,13-15H,4-6,9-12H2,1-3H3

InChI Key

JSOQUSBINRGBFO-UHFFFAOYSA-N

Formula

C17H28O4

SMILES

CCCOC(=O)C1CC=CCC1C(=O)OCC(CC)CC

Molecular Weight¹

296.40

• 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	0.6690		Relay (1.0) Calculated Property
ΔfG°	-331.32	kJ/mol	Joback Calculated Property
ΔfH°gas	-862.66	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	35.96	kJ/mol	Joback Calculated Property
ΔvapH°	84.67	kJ/mol	Relay (1.0) Calculated Property
IE	9.13	eV	Relay (1.0) Calculated Property
log10WS	-4.02		Relay (1.0) Calculated Property
logPoct/wat	3.501		Crippen Calculated Property
McVol	250.110	ml/mol	McGowan Calculated Property
Pc	1547.57	kPa	Joback Calculated Property
Inp	[1953.00; 1953.00]
Inp	1953.00		NIST
Inp	1953.00		NIST
Tboil	592.38	K	Relay (1.0) Calculated Property
Tc	778.65	K	Relay (1.0) Calculated Property
Tfus	253.01	K	Relay (1.0) Calculated Property
Vc	0.883	m3/kmol	Relay (1.0) Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[764.19; 856.66]	J/mol×K	[754.54; 953.24]
Cp,gas	764.19	J/mol×K	754.54	Joback Calculated Property
Cp,gas	782.54	J/mol×K	787.66	Joback Calculated Property
Cp,gas	799.71	J/mol×K	820.77	Joback Calculated Property
Cp,gas	815.69	J/mol×K	853.89	Joback Calculated Property
Cp,gas	830.50	J/mol×K	887.00	Joback Calculated Property
Cp,gas	844.16	J/mol×K	920.12	Joback Calculated Property
Cp,gas	856.66	J/mol×K	953.24	Joback Calculated Property
η	[0.0001034; 0.0015094]	Pa×s	[414.57; 754.54]
η	0.0015094	Pa×s	414.57	Joback Calculated Property
η	0.0007381	Pa×s	471.23	Joback Calculated Property
η	0.0004209	Pa×s	527.89	Joback Calculated Property
η	0.0002676	Pa×s	584.56	Joback Calculated Property
η	0.0001843	Pa×s	641.22	Joback Calculated Property
η	0.0001349	Pa×s	697.88	Joback Calculated Property
η	0.0001034	Pa×s	754.54	Joback Calculated Property

Similar Compounds

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

Sources

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

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