Chemical Properties of 1,2-Cyclohexanedicarboxylic acid, 3,5-dimethylphenyl undecyl ester

InChI

InChI=1S/C27H42O4/c1-4-5-6-7-8-9-10-11-14-17-30-26(28)24-15-12-13-16-25(24)27(29)31-23-19-21(2)18-22(3)20-23/h18-20,24-25H,4-17H2,1-3H3

InChI Key

OOBOGMWQKQBIMH-UHFFFAOYSA-N

Formula

C27H42O4

SMILES

CCCCCCCCCCCOC(=O)C1CCCCC1C(=O)Oc1cc(C)cc(C)c1

Molecular Weight¹

430.62

• 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°	-181.49	kJ/mol	Joback Calculated Property
ΔfH°gas	-842.64	kJ/mol	Joback Calculated Property
ΔfusH°	57.43	kJ/mol	Joback Calculated Property
ΔvapH°	97.73	kJ/mol	Joback Calculated Property
log10WS	-8.13		Crippen Calculated Property
logPoct/wat	7.089		Crippen Calculated Property
McVol	371.550	ml/mol	McGowan Calculated Property
Pc	949.67	kPa	Joback Calculated Property
Inp	[3126.00; 3126.00]
Inp	3126.00		NIST
Inp	3126.00		NIST
Tboil	1021.26	K	Joback Calculated Property
Tc	1250.45	K	Joback Calculated Property
Tfus	592.97	K	Joback Calculated Property
Vc	1.419	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[1304.47; 1375.12]	J/mol×K	[1021.26; 1250.45]
Cp,gas	1304.47	J/mol×K	1021.26	Joback Calculated Property
Cp,gas	1320.94	J/mol×K	1059.46	Joback Calculated Property
Cp,gas	1335.47	J/mol×K	1097.66	Joback Calculated Property
Cp,gas	1348.11	J/mol×K	1135.86	Joback Calculated Property
Cp,gas	1358.89	J/mol×K	1174.06	Joback Calculated Property
Cp,gas	1367.88	J/mol×K	1212.25	Joback Calculated Property
Cp,gas	1375.12	J/mol×K	1250.45	Joback Calculated Property
η	[0.0000278; 0.0003074]	Pa×s	[592.97; 1021.26]
η	0.0003074	Pa×s	592.97	Joback Calculated Property
η	0.0001661	Pa×s	664.35	Joback Calculated Property
η	0.0001012	Pa×s	735.73	Joback Calculated Property
η	0.0000672	Pa×s	807.12	Joback Calculated Property
η	0.0000478	Pa×s	878.50	Joback Calculated Property
η	0.0000357	Pa×s	949.88	Joback Calculated Property
η	0.0000278	Pa×s	1021.26	Joback Calculated Property

Similar Compounds

Find more compounds similar to 1,2-Cyclohexanedicarboxylic acid, 3,5-dimethylphenyl undecyl ester.

Sources

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

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