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

InChI

InChI=1S/C30H46O4/c1-2-3-4-5-6-7-8-9-10-11-12-18-24-33-29(31)27-21-16-17-22-28(27)30(32)34-25-23-26-19-14-13-15-20-26/h13-17,19-20,27-28H,2-12,18,21-25H2,1H3

InChI Key

VTGQPRNMRUIRGL-UHFFFAOYSA-N

Formula

C30H46O4

SMILES

CCCCCCCCCCCCCCOC(=O)C1CC=CCC1C(=O)OCCc1ccccc1

Molecular Weight¹

470.68

• 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	1.1335		Relay (1.0) Calculated Property
ΔfG°	-107.01	kJ/mol	Joback Calculated Property
ΔfH°gas	-859.66	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	67.20	kJ/mol	Joback Calculated Property
ΔvapH°	139.75	kJ/mol	Relay (1.0) Calculated Property
IE	8.83	eV	Relay (1.0) Calculated Property
log10WS	-7.35		Relay (1.0) Calculated Property
logPoct/wat	7.599		Crippen Calculated Property
McVol	409.520	ml/mol	McGowan Calculated Property
Pc	831.94	kPa	Joback Calculated Property
Inp	[3432.00; 3432.00]
Inp	3432.00		NIST
Inp	3432.00		NIST
Tboil	714.72	K	Relay (1.0) Calculated Property
Tc	932.21	K	Relay (1.0) Calculated Property
Tfus	311.76	K	Relay (1.0) Calculated Property
Vc	1.494	m3/kmol	Relay (1.0) Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[1461.95; 1530.77]	J/mol×K	[1079.10; 1323.82]
Cp,gas	1461.95	J/mol×K	1079.10	Joback Calculated Property
Cp,gas	1478.29	J/mol×K	1119.89	Joback Calculated Property
Cp,gas	1492.55	J/mol×K	1160.67	Joback Calculated Property
Cp,gas	1504.84	J/mol×K	1201.46	Joback Calculated Property
Cp,gas	1515.24	J/mol×K	1242.25	Joback Calculated Property
Cp,gas	1523.85	J/mol×K	1283.03	Joback Calculated Property
Cp,gas	1530.77	J/mol×K	1323.82	Joback Calculated Property
η	[0.0000184; 0.0002741]	Pa×s	[602.50; 1079.10]
η	0.0002741	Pa×s	602.50	Joback Calculated Property
η	0.0001344	Pa×s	681.93	Joback Calculated Property
η	0.0000765	Pa×s	761.37	Joback Calculated Property
η	0.0000484	Pa×s	840.80	Joback Calculated Property
η	0.0000332	Pa×s	920.23	Joback Calculated Property
η	0.0000241	Pa×s	999.67	Joback Calculated Property
η	0.0000184	Pa×s	1079.10	Joback Calculated Property

Similar Compounds

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

Sources

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

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