Chemical Properties of cis-Cyclohex-4-en-1,2-dicarboxylic acid, ethyl undecyl ester

InChI

InChI=1S/C21H36O4/c1-3-5-6-7-8-9-10-11-14-17-25-21(23)19-16-13-12-15-18(19)20(22)24-4-2/h12-13,18-19H,3-11,14-17H2,1-2H3

InChI Key

METHQUDQVSRNCO-UHFFFAOYSA-N

Formula

C21H36O4

SMILES

CCCCCCCCCCCOC(=O)C1CC=CCC1C(=O)OCC

Molecular Weight¹

352.51

• 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	0.8710		Relay (1.0) Calculated Property
ΔfG°	-295.20	kJ/mol	Joback Calculated Property
ΔfH°gas	-921.29	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	49.85	kJ/mol	Joback Calculated Property
ΔvapH°	103.59	kJ/mol	Relay (1.0) Calculated Property
IE	9.13	eV	Relay (1.0) Calculated Property
log10WS	-5.51		Relay (1.0) Calculated Property
logPoct/wat	5.206		Crippen Calculated Property
McVol	306.470	ml/mol	McGowan Calculated Property
Pc	1161.66	kPa	Joback Calculated Property
Inp	[2414.00; 2414.00]
Inp	2414.00		NIST
Inp	2414.00		NIST
Tboil	621.86	K	Relay (1.0) Calculated Property
Tc	820.95	K	Relay (1.0) Calculated Property
Tfus	298.57	K	Relay (1.0) Calculated Property
Vc	1.125	m3/kmol	Relay (1.0) Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[1002.48; 1094.68]	J/mol×K	[846.50; 1043.73]
Cp,gas	1002.48	J/mol×K	846.50	Joback Calculated Property
Cp,gas	1021.11	J/mol×K	879.37	Joback Calculated Property
Cp,gas	1038.41	J/mol×K	912.24	Joback Calculated Property
Cp,gas	1054.39	J/mol×K	945.12	Joback Calculated Property
Cp,gas	1069.09	J/mol×K	977.99	Joback Calculated Property
Cp,gas	1082.51	J/mol×K	1010.86	Joback Calculated Property
Cp,gas	1094.68	J/mol×K	1043.73	Joback Calculated Property
η	[0.0000664; 0.0008903]	Pa×s	[474.65; 846.50]
η	0.0008903	Pa×s	474.65	Joback Calculated Property
η	0.0004499	Pa×s	536.62	Joback Calculated Property
η	0.0002619	Pa×s	598.60	Joback Calculated Property
η	0.0001687	Pa×s	660.58	Joback Calculated Property
η	0.0001172	Pa×s	722.55	Joback Calculated Property
η	0.0000862	Pa×s	784.52	Joback Calculated Property
η	0.0000664	Pa×s	846.50	Joback Calculated Property

Similar Compounds

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

Sources

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

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