Chemical Properties of cis-Cyclohex-4-en-1,2-dicarboxylic acid, 2-methylpent-3-yl undecyl ester

InChI

InChI=1S/C25H44O4/c1-5-7-8-9-10-11-12-13-16-19-28-24(26)21-17-14-15-18-22(21)25(27)29-23(6-2)20(3)4/h14-15,20-23H,5-13,16-19H2,1-4H3

InChI Key

AFADIWIYBCMZSY-UHFFFAOYSA-N

Formula

C25H44O4

SMILES

CCCCCCCCCCCOC(=O)C1CC=CCC1C(=O)OC(CC)C(C)C

Molecular Weight¹

408.61

• 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	0.9527		Relay (1.0) Calculated Property
ΔfG°	-266.40	kJ/mol	Joback Calculated Property
ΔfH°gas	-1026.28	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	53.16	kJ/mol	Joback Calculated Property
ΔvapH°	109.95	kJ/mol	Relay (1.0) Calculated Property
IE	9.12	eV	Relay (1.0) Calculated Property
log10WS	-6.26		Relay (1.0) Calculated Property
logPoct/wat	6.621		Crippen Calculated Property
McVol	362.830	ml/mol	McGowan Calculated Property
Pc	917.16	kPa	Joback Calculated Property
Inp	[2733.00; 2733.00]
Inp	2733.00		NIST
Inp	2733.00		NIST
Tboil	650.27	K	Relay (1.0) Calculated Property
Tc	848.49	K	Relay (1.0) Calculated Property
Tfus	293.07	K	Relay (1.0) Calculated Property
Vc	1.313	m3/kmol	Relay (1.0) Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[1252.47; 1343.25]	J/mol×K	[937.14; 1147.64]
Cp,gas	1252.47	J/mol×K	937.14	Joback Calculated Property
Cp,gas	1271.65	J/mol×K	972.22	Joback Calculated Property
Cp,gas	1289.16	J/mol×K	1007.31	Joback Calculated Property
Cp,gas	1305.04	J/mol×K	1042.39	Joback Calculated Property
Cp,gas	1319.32	J/mol×K	1077.47	Joback Calculated Property
Cp,gas	1332.04	J/mol×K	1112.56	Joback Calculated Property
Cp,gas	1343.25	J/mol×K	1147.64	Joback Calculated Property
η	[0.0000312; 0.0007476]	Pa×s	[489.73; 937.14]
η	0.0007476	Pa×s	489.73	Joback Calculated Property
η	0.0003104	Pa×s	564.30	Joback Calculated Property
η	0.0001582	Pa×s	638.87	Joback Calculated Property
η	0.0000929	Pa×s	713.43	Joback Calculated Property
η	0.0000603	Pa×s	788.00	Joback Calculated Property
η	0.0000422	Pa×s	862.57	Joback Calculated Property
η	0.0000312	Pa×s	937.14	Joback Calculated Property

Similar Compounds

Find more compounds similar to cis-Cyclohex-4-en-1,2-dicarboxylic acid, 2-methylpent-3-yl undecyl ester.

Sources

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

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