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

InChI

InChI=1S/C29H52O4/c1-3-5-7-9-10-11-12-13-14-15-16-17-21-25-33-29(31)27-23-19-18-22-26(27)28(30)32-24-20-8-6-4-2/h18-19,26-27H,3-17,20-25H2,1-2H3

InChI Key

KSMJSJUOMLUMGF-UHFFFAOYSA-N

Formula

C29H52O4

SMILES

CCCCCCCCCCCCCCCOC(=O)C1CC=CCC1C(=O)OCCCCCC

Molecular Weight¹

464.72

• 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	1.1678		Relay (... Calculated Property
ΔfG°	-227.84	kJ/mol	Joback Calculated Property
ΔfH°gas	-1081.66	kJ/mol	Relay (... Calculated Property
ΔfusH°	70.57	kJ/mol	Joback Calculated Property
ΔvapH°	130.78	kJ/mol	Relay (... Calculated Property
IE	9.38	eV	Relay (... Calculated Property
log10WS	-7.83		Relay (... Calculated Property
logPoct/wat	8.327		Crippen Calculated Property
McVol	419.190	ml/mol	McGowan Calculated Property
Pc	729.67	kPa	Joback Calculated Property
Inp	[3189.00; 3189.00]
Inp	3189.00		NIST
Inp	3189.00		NIST
Tboil	676.78	K	Relay (... Calculated Property
Tc	880.48	K	Relay (... Calculated Property
Tfus	313.68	K	Relay (... Calculated Property
Vc	1.558	m3/kmol	Relay (... Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[1507.35; 1596.97]	J/mol×K	[1029.54; 1269.23]
Cp,gas	1507.35	J/mol×K	1029.54	Joback Calculated Property
Cp,gas	1527.56	J/mol×K	1069.49	Joback Calculated Property
Cp,gas	1545.56	J/mol×K	1109.44	Joback Calculated Property
Cp,gas	1561.43	J/mol×K	1149.39	Joback Calculated Property
Cp,gas	1575.24	J/mol×K	1189.34	Joback Calculated Property
Cp,gas	1587.06	J/mol×K	1229.28	Joback Calculated Property
Cp,gas	1596.97	J/mol×K	1269.23	Joback Calculated Property
η	[0.0000205; 0.0003529]	Pa×s	[564.81; 1029.54]
η	0.0003529	Pa×s	564.81	Joback Calculated Property
η	0.0001651	Pa×s	642.26	Joback Calculated Property
η	0.0000909	Pa×s	719.72	Joback Calculated Property
η	0.0000563	Pa×s	797.17	Joback Calculated Property
η	0.0000379	Pa×s	874.63	Joback Calculated Property
η	0.0000272	Pa×s	952.08	Joback Calculated Property
η	0.0000205	Pa×s	1029.54	Joback Calculated Property

Similar Compounds

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

Sources

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

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