Chemical Properties of cis-Cyclohex-4-en-1,2-dicarboxylic acid, butyl phenethyl ester

InChI

InChI=1S/C20H26O4/c1-2-3-14-23-19(21)17-11-7-8-12-18(17)20(22)24-15-13-16-9-5-4-6-10-16/h4-10,17-18H,2-3,11-15H2,1H3

InChI Key

ANYOCAQEWQNMSP-UHFFFAOYSA-N

Formula

C20H26O4

SMILES

CCCCOC(=O)C1CC=CCC1C(=O)OCCc1ccccc1

Molecular Weight¹

330.42

• 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	0.7344		Relay (1.0) Calculated Property
ΔfG°	-191.21	kJ/mol	Joback Calculated Property
ΔfH°gas	-648.56	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	41.30	kJ/mol	Joback Calculated Property
ΔvapH°	103.98	kJ/mol	Relay (1.0) Calculated Property
IE	8.63	eV	Relay (1.0) Calculated Property
log10WS	-4.35		Relay (1.0) Calculated Property
logPoct/wat	3.698		Crippen Calculated Property
McVol	268.620	ml/mol	McGowan Calculated Property
Pc	1591.08	kPa	Joback Calculated Property
Inp	[2409.00; 2409.00]
Inp	2409.00		NIST
Inp	2409.00		NIST
Tboil	645.57	K	Relay (1.0) Calculated Property
Tc	862.11	K	Relay (1.0) Calculated Property
Tfus	291.99	K	Relay (1.0) Calculated Property
Vc	0.957	m3/kmol	Relay (1.0) Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[848.95; 927.59]	J/mol×K	[850.30; 1069.77]
Cp,gas	848.95	J/mol×K	850.30	Joback Calculated Property
Cp,gas	865.67	J/mol×K	886.88	Joback Calculated Property
Cp,gas	880.90	J/mol×K	923.46	Joback Calculated Property
Cp,gas	894.67	J/mol×K	960.04	Joback Calculated Property
Cp,gas	907.02	J/mol×K	996.61	Joback Calculated Property
Cp,gas	917.98	J/mol×K	1033.19	Joback Calculated Property
Cp,gas	927.59	J/mol×K	1069.77	Joback Calculated Property
η	[0.0000782; 0.0008414]	Pa×s	[489.80; 850.30]
η	0.0008414	Pa×s	489.80	Joback Calculated Property
η	0.0004562	Pa×s	549.88	Joback Calculated Property
η	0.0002790	Pa×s	609.97	Joback Calculated Property
η	0.0001864	Pa×s	670.05	Joback Calculated Property
η	0.0001330	Pa×s	730.13	Joback Calculated Property
η	0.0001000	Pa×s	790.22	Joback Calculated Property
η	0.0000782	Pa×s	850.30	Joback Calculated Property

Similar Compounds

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

Sources

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

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