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

InChI

InChI=1S/C30H46O4/c1-2-3-4-5-6-7-8-9-10-11-17-24-33-29(31)27-22-15-16-23-28(27)30(32)34-25-18-21-26-19-13-12-14-20-26/h12-16,19-20,27-28H,2-11,17-18,21-25H2,1H3

InChI Key

JVIGWTWTMOCOCP-UHFFFAOYSA-N

Formula

C30H46O4

SMILES

CCCCCCCCCCCCCOC(=O)C1CC=CCC1C(=O)OCCCc1ccccc1

Molecular Weight¹

470.69

• 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	1.1325		Relay (1.0) Calculated Property
ΔfG°	-259.91	kJ/mol	Joback Calculated Property
ΔfH°gas	-867.56	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	70.36	kJ/mol	Joback Calculated Property
ΔvapH°	140.96	kJ/mol	Relay (1.0) Calculated Property
IE	8.83	eV	Relay (1.0) Calculated Property
log10WS	-7.33		Relay (1.0) Calculated Property
logPoct/wat	7.599		Crippen Calculated Property
McVol	409.520	ml/mol	McGowan Calculated Property
Pc	793.94	kPa	Joback Calculated Property
Inp	[3426.00; 3426.00]
Inp	3426.00		NIST
Inp	3426.00		NIST
Tboil	718.73	K	Relay (1.0) Calculated Property
Tc	933.88	K	Relay (1.0) Calculated Property
Tfus	318.22	K	Relay (1.0) Calculated Property
Vc	1.496	m3/kmol	Relay (1.0) Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[1445.71; 1514.55]	J/mol×K	[1043.16; 1278.30]
Cp,gas	1445.71	J/mol×K	1043.16	Joback Calculated Property
Cp,gas	1462.08	J/mol×K	1082.35	Joback Calculated Property
Cp,gas	1476.37	J/mol×K	1121.54	Joback Calculated Property
Cp,gas	1488.67	J/mol×K	1160.73	Joback Calculated Property
Cp,gas	1499.08	J/mol×K	1199.92	Joback Calculated Property
Cp,gas	1507.68	J/mol×K	1239.11	Joback Calculated Property
Cp,gas	1514.55	J/mol×K	1278.30	Joback Calculated Property
η	[0.0000136; 0.0003669]	Pa×s	[542.84; 1043.16]
η	0.0003669	Pa×s	542.84	Joback Calculated Property
η	0.0001470	Pa×s	626.23	Joback Calculated Property
η	0.0000730	Pa×s	709.61	Joback Calculated Property
η	0.0000420	Pa×s	793.00	Joback Calculated Property
η	0.0000269	Pa×s	876.39	Joback Calculated Property
η	0.0000186	Pa×s	959.77	Joback Calculated Property
η	0.0000136	Pa×s	1043.16	Joback Calculated Property

Similar Compounds

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

Sources

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

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