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

InChI

InChI=1S/C21H28O4/c1-2-3-9-15-24-20(22)18-12-7-8-13-19(18)21(23)25-16-14-17-10-5-4-6-11-17/h4-8,10-11,18-19H,2-3,9,12-16H2,1H3

InChI Key

HSSYHHDKGGGDJV-UHFFFAOYSA-N

Formula

C21H28O4

SMILES

CCCCCOC(=O)C1CC=CCC1C(=O)OCCc1ccccc1

Molecular Weight¹

344.44

• 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°	-182.79	kJ/mol	Joback Calculated Property
ΔfH°gas	-638.08	kJ/mol	Joback Calculated Property
ΔfusH°	43.89	kJ/mol	Joback Calculated Property
ΔvapH°	83.34	kJ/mol	Joback Calculated Property
log10WS	-4.71		Crippen Calculated Property
logPoct/wat	4.088		Crippen Calculated Property
McVol	282.710	ml/mol	McGowan Calculated Property
Pc	1475.88	kPa	Joback Calculated Property
Inp	[2508.00; 2508.00]
Inp	2508.00		NIST
Inp	2508.00		NIST
Tboil	873.18	K	Joback Calculated Property
Tc	1091.36	K	Joback Calculated Property
Tfus	501.07	K	Joback Calculated Property
Vc	1.069	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[908.07; 986.08]	J/mol×K	[873.18; 1091.36]
Cp,gas	908.07	J/mol×K	873.18	Joback Calculated Property
Cp,gas	924.73	J/mol×K	909.54	Joback Calculated Property
Cp,gas	939.87	J/mol×K	945.91	Joback Calculated Property
Cp,gas	953.54	J/mol×K	982.27	Joback Calculated Property
Cp,gas	965.78	J/mol×K	1018.63	Joback Calculated Property
Cp,gas	976.61	J/mol×K	1054.99	Joback Calculated Property
Cp,gas	986.08	J/mol×K	1091.36	Joback Calculated Property
η	[0.0000684; 0.0007647]	Pa×s	[501.07; 873.18]
η	0.0007647	Pa×s	501.07	Joback Calculated Property
η	0.0004098	Pa×s	563.09	Joback Calculated Property
η	0.0002485	Pa×s	625.11	Joback Calculated Property
η	0.0001649	Pa×s	687.12	Joback Calculated Property
η	0.0001172	Pa×s	749.14	Joback Calculated Property
η	0.0000877	Pa×s	811.16	Joback Calculated Property
η	0.0000684	Pa×s	873.18	Joback Calculated Property

Similar Compounds

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

Sources

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

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