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

InChI

InChI=1S/C23H42O5/c1-3-5-6-7-8-9-10-11-14-17-27-22(24)20-15-12-13-16-21(20)23(25)28-19-18-26-4-2/h20-21H,3-19H2,1-2H3

InChI Key

JQIXMXPOTVXORM-UHFFFAOYSA-N

Formula

C23H42O5

SMILES

CCCCCCCCCCCOC(=O)C1CCCCC1C(=O)OCCOCC

Molecular Weight¹

398.58

• 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	1.0200		Relay (1.0) Calculated Property
ΔfG°	-413.32	kJ/mol	Joback Calculated Property
ΔfH°gas	-1190.29	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	54.99	kJ/mol	Joback Calculated Property
ΔvapH°	112.56	kJ/mol	Relay (1.0) Calculated Property
IE	9.51	eV	Relay (1.0) Calculated Property
log10WS	-5.41		Relay (1.0) Calculated Property
logPoct/wat	5.447		Crippen Calculated Property
McVol	344.820	ml/mol	McGowan Calculated Property
Pc	989.51	kPa	Joback Calculated Property
Inp	[2695.00; 2695.00]
Inp	2695.00		NIST
Inp	2695.00		NIST
Tboil	653.24	K	Relay (1.0) Calculated Property
Tc	855.50	K	Relay (1.0) Calculated Property
Tfus	291.88	K	Relay (1.0) Calculated Property
Vc	1.274	m3/kmol	Relay (1.0) Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[1187.49; 1276.57]	J/mol×K	[915.52; 1121.29]
Cp,gas	1187.49	J/mol×K	915.52	Joback Calculated Property
Cp,gas	1206.45	J/mol×K	949.81	Joback Calculated Property
Cp,gas	1223.74	J/mol×K	984.11	Joback Calculated Property
Cp,gas	1239.38	J/mol×K	1018.40	Joback Calculated Property
Cp,gas	1253.39	J/mol×K	1052.70	Joback Calculated Property
Cp,gas	1265.78	J/mol×K	1086.99	Joback Calculated Property
Cp,gas	1276.57	J/mol×K	1121.29	Joback Calculated Property
η	[0.0000343; 0.0005027]	Pa×s	[518.66; 915.52]
η	0.0005027	Pa×s	518.66	Joback Calculated Property
η	0.0002496	Pa×s	584.80	Joback Calculated Property
η	0.0001428	Pa×s	650.95	Joback Calculated Property
η	0.0000906	Pa×s	717.09	Joback Calculated Property
η	0.0000621	Pa×s	783.23	Joback Calculated Property
η	0.0000451	Pa×s	849.38	Joback Calculated Property
η	0.0000343	Pa×s	915.52	Joback Calculated Property

Similar Compounds

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

Sources

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

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