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

InChI

InChI=1S/C31H48O4/c1-2-3-4-5-6-7-8-9-10-11-12-13-19-25-34-30(32)28-22-17-18-23-29(28)31(33)35-26-24-27-20-15-14-16-21-27/h14-18,20-21,28-29H,2-13,19,22-26H2,1H3

InChI Key

IOBZLESSXUAKOB-UHFFFAOYSA-N

Formula

C31H48O4

SMILES

CCCCCCCCCCCCCCCOC(=O)C1CC=CCC1C(=O)OCCc1ccccc1

Molecular Weight¹

484.71

• 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	1.1696		Relay (1.0) Calculated Property
ΔfG°	-98.59	kJ/mol	Joback Calculated Property
ΔfH°gas	-880.83	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	69.79	kJ/mol	Joback Calculated Property
ΔvapH°	143.71	kJ/mol	Relay (1.0) Calculated Property
IE	8.87	eV	Relay (1.0) Calculated Property
log10WS	-7.64		Relay (1.0) Calculated Property
logPoct/wat	7.989		Crippen Calculated Property
McVol	423.610	ml/mol	McGowan Calculated Property
Pc	787.71	kPa	Joback Calculated Property
Inp	[3534.00; 3534.00]
Inp	3534.00		NIST
Inp	3534.00		NIST
Tboil	721.23	K	Relay (1.0) Calculated Property
Tc	938.56	K	Relay (1.0) Calculated Property
Tfus	313.72	K	Relay (1.0) Calculated Property
Vc	1.548	m3/kmol	Relay (1.0) Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[1525.02; 1592.51]	J/mol×K	[1101.98; 1355.05]
Cp,gas	1525.02	J/mol×K	1101.98	Joback Calculated Property
Cp,gas	1541.41	J/mol×K	1144.16	Joback Calculated Property
Cp,gas	1555.61	J/mol×K	1186.34	Joback Calculated Property
Cp,gas	1567.71	J/mol×K	1228.51	Joback Calculated Property
Cp,gas	1577.82	J/mol×K	1270.69	Joback Calculated Property
Cp,gas	1586.05	J/mol×K	1312.87	Joback Calculated Property
Cp,gas	1592.51	J/mol×K	1355.05	Joback Calculated Property
η	[0.0000157; 0.0002411]	Pa×s	[613.77; 1101.98]
η	0.0002411	Pa×s	613.77	Joback Calculated Property
η	0.0001172	Pa×s	695.14	Joback Calculated Property
η	0.0000663	Pa×s	776.51	Joback Calculated Property
η	0.0000418	Pa×s	857.88	Joback Calculated Property
η	0.0000285	Pa×s	939.24	Joback Calculated Property
η	0.0000207	Pa×s	1020.61	Joback Calculated Property
η	0.0000157	Pa×s	1101.98	Joback Calculated Property

Similar Compounds

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

Sources

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

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