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

• 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	0.9010		Relay (1.0) Calculated Property
ΔfG°	-310.43	kJ/mol	Joback Calculated Property
ΔfH°gas	-739.47	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	54.82	kJ/mol	Joback Calculated Property
ΔvapH°	117.61	kJ/mol	Relay (1.0) Calculated Property
IE	8.64	eV	Relay (1.0) Calculated Property
log10WS	-5.64		Relay (1.0) Calculated Property
logPoct/wat	5.258		Crippen Calculated Property
McVol	324.980	ml/mol	McGowan Calculated Property
Pc	1131.38	kPa	Joback Calculated Property
Inp	[2817.00; 2817.00]
Inp	2817.00		NIST
Inp	2817.00		NIST
Tboil	678.79	K	Relay (1.0) Calculated Property
Tc	894.18	K	Relay (1.0) Calculated Property
Tfus	312.15	K	Relay (1.0) Calculated Property
Vc	1.174	m3/kmol	Relay (1.0) Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[1074.64; 1151.83]	J/mol×K	[905.88; 1119.19]
Cp,gas	1074.64	J/mol×K	905.88	Joback Calculated Property
Cp,gas	1091.48	J/mol×K	941.43	Joback Calculated Property
Cp,gas	1106.66	J/mol×K	976.98	Joback Calculated Property
Cp,gas	1120.25	J/mol×K	1012.53	Joback Calculated Property
Cp,gas	1132.27	J/mol×K	1048.08	Joback Calculated Property
Cp,gas	1142.78	J/mol×K	1083.63	Joback Calculated Property
Cp,gas	1151.83	J/mol×K	1119.19	Joback Calculated Property
η	[0.0000340; 0.0008048]	Pa×s	[475.22; 905.88]
η	0.0008048	Pa×s	475.22	Joback Calculated Property
η	0.0003360	Pa×s	547.00	Joback Calculated Property
η	0.0001717	Pa×s	618.77	Joback Calculated Property
η	0.0001009	Pa×s	690.55	Joback Calculated Property
η	0.0000656	Pa×s	762.33	Joback Calculated Property
η	0.0000459	Pa×s	834.10	Joback Calculated Property
η	0.0000340	Pa×s	905.88	Joback Calculated Property

Similar Compounds

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

Sources

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

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