Chemical Properties of cis-Cyclohex-4-en-1,2-dicarboxylic acid, heptyl 3-phenylpropyl ester

InChI

InChI=1S/C24H34O4/c1-2-3-4-5-11-18-27-23(25)21-16-9-10-17-22(21)24(26)28-19-12-15-20-13-7-6-8-14-20/h6-10,13-14,21-22H,2-5,11-12,15-19H2,1H3

InChI Key

RCVYSFMRNOETRG-UHFFFAOYSA-N

Formula

C24H34O4

SMILES

CCCCCCCOC(=O)C1CC=CCC1C(=O)OCCCc1ccccc1

Molecular Weight¹

386.52

• 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°	-157.53	kJ/mol	Joback Calculated Property
ΔfH°gas	-700.00	kJ/mol	Joback Calculated Property
ΔfusH°	51.66	kJ/mol	Joback Calculated Property
ΔvapH°	90.02	kJ/mol	Joback Calculated Property
log10WS	-5.96		Crippen Calculated Property
logPoct/wat	5.258		Crippen Calculated Property
McVol	324.980	ml/mol	McGowan Calculated Property
Pc	1196.48	kPa	Joback Calculated Property
Inp	[2817.00; 2817.00]
Inp	2817.00		NIST
Inp	2817.00		NIST
Tboil	941.82	K	Joback Calculated Property
Tc	1160.54	K	Joback Calculated Property
Tfus	534.88	K	Joback Calculated Property
Vc	1.238	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[1089.00; 1164.46]	J/mol×K	[941.82; 1160.54]
Cp,gas	1089.00	J/mol×K	941.82	Joback Calculated Property
Cp,gas	1105.43	J/mol×K	978.27	Joback Calculated Property
Cp,gas	1120.26	J/mol×K	1014.73	Joback Calculated Property
Cp,gas	1133.53	J/mol×K	1051.18	Joback Calculated Property
Cp,gas	1145.29	J/mol×K	1087.63	Joback Calculated Property
Cp,gas	1155.59	J/mol×K	1124.09	Joback Calculated Property
Cp,gas	1164.46	J/mol×K	1160.54	Joback Calculated Property
η	[0.0000450; 0.0005599]	Pa×s	[534.88; 941.82]
η	0.0005599	Pa×s	534.88	Joback Calculated Property
η	0.0002904	Pa×s	602.70	Joback Calculated Property
η	0.0001720	Pa×s	670.53	Joback Calculated Property
η	0.0001121	Pa×s	738.35	Joback Calculated Property
η	0.0000786	Pa×s	806.17	Joback Calculated Property
η	0.0000582	Pa×s	874.00	Joback Calculated Property
η	0.0000450	Pa×s	941.82	Joback Calculated Property

Similar Compounds

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

Sources

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

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