Chemical Properties of 1,2-Cyclohexanedicarboxylic acid, hexadecyl 4-octyl ester

InChI

InChI=1S/C32H60O4/c1-4-7-9-10-11-12-13-14-15-16-17-18-19-22-27-35-31(33)29-25-20-21-26-30(29)32(34)36-28(23-6-3)24-8-5-2/h28-30H,4-27H2,1-3H3

InChI Key

BNTGPKZCEXLQFE-UHFFFAOYSA-N

Formula

C32H60O4

SMILES

CCCCCCCCCCCCCCCCOC(=O)C1CCCCC1C(=O)OC(CCC)CCCC

Molecular Weight¹

508.82

• 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).
• 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
ΔfG°	-234.98	kJ/mol	Joback Calculated Property
ΔfH°gas	-1164.71	kJ/mol	Joback Calculated Property
ΔfusH°	73.59	kJ/mol	Joback Calculated Property
ΔvapH°	104.87	kJ/mol	Joback Calculated Property
log10WS	-10.47		Crippen Calculated Property
logPoct/wat	9.719		Crippen Calculated Property
McVol	465.760	ml/mol	McGowan Calculated Property
Pc	619.41	kPa	Joback Calculated Property
Inp	[3652.00; 3652.00]
Inp	3652.00		NIST
Inp	3652.00		NIST
Tboil	1098.58	K	Joback Calculated Property
Tc	1372.59	K	Joback Calculated Property
Tfus	582.86	K	Joback Calculated Property
Vc	1.802	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[1734.74; 1820.92]	J/mol×K	[1098.58; 1372.59]
Cp,gas	1734.74	J/mol×K	1098.58	Joback Calculated Property
Cp,gas	1756.20	J/mol×K	1144.25	Joback Calculated Property
Cp,gas	1774.66	J/mol×K	1189.92	Joback Calculated Property
Cp,gas	1790.23	J/mol×K	1235.58	Joback Calculated Property
Cp,gas	1803.04	J/mol×K	1281.25	Joback Calculated Property
Cp,gas	1813.23	J/mol×K	1326.92	Joback Calculated Property
Cp,gas	1820.92	J/mol×K	1372.59	Joback Calculated Property
η	[0.0000105; 0.0002579]	Pa×s	[582.86; 1098.58]
η	0.0002579	Pa×s	582.86	Joback Calculated Property
η	0.0001074	Pa×s	668.81	Joback Calculated Property
η	0.0000546	Pa×s	754.77	Joback Calculated Property
η	0.0000319	Pa×s	840.72	Joback Calculated Property
η	0.0000205	Pa×s	926.67	Joback Calculated Property
η	0.0000143	Pa×s	1012.63	Joback Calculated Property
η	0.0000105	Pa×s	1098.58	Joback Calculated Property

Similar Compounds

Find more compounds similar to 1,2-Cyclohexanedicarboxylic acid, hexadecyl 4-octyl ester.

Sources

• Crippen Method
• Crippen Method
• Joback Method
• McGowan Method
• NIST Webbook

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