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

InChI

InChI=1S/C25H36O4/c1-2-3-4-5-6-12-19-28-24(26)22-17-10-11-18-23(22)25(27)29-20-13-16-21-14-8-7-9-15-21/h7-11,14-15,22-23H,2-6,12-13,16-20H2,1H3

InChI Key

CKDJCSRGZMURBA-UHFFFAOYSA-N

Formula

C25H36O4

SMILES

CCCCCCCCOC(=O)C1CC=CCC1C(=O)OCCCc1ccccc1

Molecular Weight¹

400.55

• 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	0.9413		Relay (1.0) Calculated Property
ΔfG°	-302.01	kJ/mol	Joback Calculated Property
ΔfH°gas	-760.96	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	57.41	kJ/mol	Joback Calculated Property
ΔvapH°	121.06	kJ/mol	Relay (1.0) Calculated Property
IE	8.66	eV	Relay (1.0) Calculated Property
log10WS	-5.93		Relay (1.0) Calculated Property
logPoct/wat	5.649		Crippen Calculated Property
McVol	339.070	ml/mol	McGowan Calculated Property
Pc	1061.71	kPa	Joback Calculated Property
Inp	[2912.00; 2912.00]
Inp	2912.00		NIST
Inp	2912.00		NIST
Tboil	685.62	K	Relay (1.0) Calculated Property
Tc	901.09	K	Relay (1.0) Calculated Property
Tfus	312.86	K	Relay (1.0) Calculated Property
Vc	1.228	m3/kmol	Relay (1.0) Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[1135.60; 1211.55]	J/mol×K	[928.76; 1143.37]
Cp,gas	1135.60	J/mol×K	928.76	Joback Calculated Property
Cp,gas	1152.32	J/mol×K	964.53	Joback Calculated Property
Cp,gas	1167.35	J/mol×K	1000.30	Joback Calculated Property
Cp,gas	1180.73	J/mol×K	1036.06	Joback Calculated Property
Cp,gas	1192.53	J/mol×K	1071.83	Joback Calculated Property
Cp,gas	1202.79	J/mol×K	1107.60	Joback Calculated Property
Cp,gas	1211.55	J/mol×K	1143.37	Joback Calculated Property
η	[0.0000293; 0.0007109]	Pa×s	[486.49; 928.76]
η	0.0007109	Pa×s	486.49	Joback Calculated Property
η	0.0002945	Pa×s	560.20	Joback Calculated Property
η	0.0001498	Pa×s	633.91	Joback Calculated Property
η	0.0000877	Pa×s	707.62	Joback Calculated Property
η	0.0000568	Pa×s	781.34	Joback Calculated Property
η	0.0000396	Pa×s	855.05	Joback Calculated Property
η	0.0000293	Pa×s	928.76	Joback Calculated Property

Similar Compounds

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

Sources

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

Note: Cheméo is only indexing the data, follow the source links to retrieve the latest data. The source is also providing more information like the publication year, authors and more. Take the time to validate and double check the source of the data.
These property values are available through the Cheméo API. A free account gives you an access key.