Chemical Properties of cis-Cyclohex-4-en-1,2-dicarboxylic acid, isohexyl octadecyl ester

InChI

InChI=1S/C32H58O4/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-21-26-35-31(33)29-24-19-20-25-30(29)32(34)36-27-22-23-28(2)3/h19-20,28-30H,4-18,21-27H2,1-3H3

InChI Key

NNNUUHJTWVWLCP-UHFFFAOYSA-N

Formula

C32H58O4

SMILES

CCCCCCCCCCCCCCCCCCOC(=O)C1CC=CCC1C(=O)OCCCC(C)C

Molecular Weight¹

506.80

• 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	1.2403		Relay (... Calculated Property
ΔfG°	-205.02	kJ/mol	Joback Calculated Property
ΔfH°gas	-1166.31	kJ/mol	Relay (... Calculated Property
ΔfusH°	74.81	kJ/mol	Joback Calculated Property
ΔvapH°	139.36	kJ/mol	Relay (... Calculated Property
IE	9.50	eV	Relay (... Calculated Property
log10WS	-8.70		Relay (... Calculated Property
logPoct/wat	9.353		Crippen Calculated Property
McVol	461.460	ml/mol	McGowan Calculated Property
Pc	630.66	kPa	Joback Calculated Property
Inp	[3451.00; 3451.00]
Inp	3451.00		NIST
Inp	3451.00		NIST
Tboil	698.21	K	Relay (... Calculated Property
Tc	897.32	K	Relay (... Calculated Property
Tfus	318.68	K	Relay (... Calculated Property
Vc	1.712	m3/kmol	Relay (... Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[1701.51; 1786.28]	J/mol×K	[1097.74; 1369.98]
Cp,gas	1701.51	J/mol×K	1097.74	Joback Calculated Property
Cp,gas	1722.37	J/mol×K	1143.11	Joback Calculated Property
Cp,gas	1740.37	J/mol×K	1188.49	Joback Calculated Property
Cp,gas	1755.63	J/mol×K	1233.86	Joback Calculated Property
Cp,gas	1768.28	J/mol×K	1279.23	Joback Calculated Property
Cp,gas	1778.46	J/mol×K	1324.61	Joback Calculated Property
Cp,gas	1786.28	J/mol×K	1369.98	Joback Calculated Property
η	[0.0000116; 0.0002618]	Pa×s	[583.62; 1097.74]
η	0.0002618	Pa×s	583.62	Joback Calculated Property
η	0.0001118	Pa×s	669.31	Joback Calculated Property
η	0.0000579	Pa×s	754.99	Joback Calculated Property
η	0.0000343	Pa×s	840.68	Joback Calculated Property
η	0.0000224	Pa×s	926.37	Joback Calculated Property
η	0.0000157	Pa×s	1012.05	Joback Calculated Property
η	0.0000116	Pa×s	1097.74	Joback Calculated Property

Similar Compounds

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

Sources

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

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