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

InChI

InChI=1S/C22H30O4/c1-2-3-4-10-16-25-21(23)19-13-8-9-14-20(19)22(24)26-17-15-18-11-6-5-7-12-18/h5-9,11-12,19-20H,2-4,10,13-17H2,1H3

InChI Key

VBPRPRSWYOEFPZ-UHFFFAOYSA-N

Formula

C22H30O4

SMILES

CCCCCCOC(=O)C1CC=CCC1C(=O)OCCc1ccccc1

Molecular Weight¹

358.47

• 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°	-174.37	kJ/mol	Joback Calculated Property
ΔfH°gas	-658.72	kJ/mol	Joback Calculated Property
ΔfusH°	46.48	kJ/mol	Joback Calculated Property
ΔvapH°	85.57	kJ/mol	Joback Calculated Property
log10WS	-5.12		Crippen Calculated Property
logPoct/wat	4.478		Crippen Calculated Property
McVol	296.800	ml/mol	McGowan Calculated Property
Pc	1372.76	kPa	Joback Calculated Property
Inp	[2607.00; 2607.00]
Inp	2607.00		NIST
Inp	2607.00		NIST
Tboil	896.06	K	Joback Calculated Property
Tc	1113.65	K	Joback Calculated Property
Tfus	512.34	K	Joback Calculated Property
Vc	1.125	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[967.83; 1045.08]	J/mol×K	[896.06; 1113.65]
Cp,gas	967.83	J/mol×K	896.06	Joback Calculated Property
Cp,gas	984.41	J/mol×K	932.32	Joback Calculated Property
Cp,gas	999.45	J/mol×K	968.59	Joback Calculated Property
Cp,gas	1013.01	J/mol×K	1004.85	Joback Calculated Property
Cp,gas	1025.10	J/mol×K	1041.12	Joback Calculated Property
Cp,gas	1035.78	J/mol×K	1077.38	Joback Calculated Property
Cp,gas	1045.08	J/mol×K	1113.65	Joback Calculated Property
η	[0.0000596; 0.0006920]	Pa×s	[512.34; 896.06]
η	0.0006920	Pa×s	512.34	Joback Calculated Property
η	0.0003666	Pa×s	576.29	Joback Calculated Property
η	0.0002205	Pa×s	640.25	Joback Calculated Property
η	0.0001455	Pa×s	704.20	Joback Calculated Property
η	0.0001029	Pa×s	768.15	Joback Calculated Property
η	0.0000767	Pa×s	832.11	Joback Calculated Property
η	0.0000596	Pa×s	896.06	Joback Calculated Property

Similar Compounds

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

Sources

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

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