Chemical Properties of 1,2-Cyclohexanedicarboxylic acid, 2-methylbutyl undecyl ester

InChI

InChI=1S/C24H44O4/c1-4-6-7-8-9-10-11-12-15-18-27-23(25)21-16-13-14-17-22(21)24(26)28-19-20(3)5-2/h20-22H,4-19H2,1-3H3

InChI Key

LOLIHPPQIQCYRT-UHFFFAOYSA-N

Formula

C24H44O4

SMILES

CCCCCCCCCCCOC(=O)C1CCCCC1C(=O)OCC(C)CC

Molecular Weight¹

396.60

• 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	0.9889		Relay (1.0) Calculated Property
ΔfG°	-302.34	kJ/mol	Joback Calculated Property
ΔfH°gas	-1113.20	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	52.87	kJ/mol	Joback Calculated Property
ΔvapH°	109.43	kJ/mol	Relay (1.0) Calculated Property
IE	9.64	eV	Relay (1.0) Calculated Property
log10WS	-6.51		Relay (1.0) Calculated Property
logPoct/wat	6.456		Crippen Calculated Property
McVol	353.040	ml/mol	McGowan Calculated Property
Pc	946.75	kPa	Joback Calculated Property
Inp	[2687.00; 2687.00]
Inp	2687.00		NIST
Inp	2687.00		NIST
Tboil	649.00	K	Relay (1.0) Calculated Property
Tc	858.09	K	Relay (1.0) Calculated Property
Tfus	280.71	K	Relay (1.0) Calculated Property
Vc	1.301	m3/kmol	Relay (1.0) Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[1219.15; 1313.95]	J/mol×K	[915.54; 1121.60]
Cp,gas	1219.15	J/mol×K	915.54	Joback Calculated Property
Cp,gas	1238.90	J/mol×K	949.88	Joback Calculated Property
Cp,gas	1257.03	J/mol×K	984.23	Joback Calculated Property
Cp,gas	1273.57	J/mol×K	1018.57	Joback Calculated Property
Cp,gas	1288.55	J/mol×K	1052.92	Joback Calculated Property
Cp,gas	1302.00	J/mol×K	1087.26	Joback Calculated Property
Cp,gas	1313.95	J/mol×K	1121.60	Joback Calculated Property
η	[0.0000364; 0.0007458]	Pa×s	[492.70; 915.54]
η	0.0007458	Pa×s	492.70	Joback Calculated Property
η	0.0003291	Pa×s	563.17	Joback Calculated Property
η	0.0001742	Pa×s	633.65	Joback Calculated Property
η	0.0001047	Pa×s	704.12	Joback Calculated Property
η	0.0000691	Pa×s	774.59	Joback Calculated Property
η	0.0000488	Pa×s	845.07	Joback Calculated Property
η	0.0000364	Pa×s	915.54	Joback Calculated Property

Similar Compounds

Find more compounds similar to 1,2-Cyclohexanedicarboxylic acid, 2-methylbutyl undecyl ester.

Sources

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

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