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

InChI

InChI=1S/C24H42O4/c1-4-5-6-7-8-9-10-11-14-18-27-23(25)21-15-12-13-16-22(21)24(26)28-19-17-20(2)3/h12-13,20-22H,4-11,14-19H2,1-3H3

InChI Key

GEKJAURHQPUCBH-UHFFFAOYSA-N

Formula

C24H42O4

SMILES

CCCCCCCCCCCOC(=O)C1CC=CCC1C(=O)OCCC(C)C

Molecular Weight¹

394.60

• C_p,gas : Ideal gas heat capacity (J/mol×K).
• η : Dynamic viscosity (Pa×s).
• 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).
• 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).
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Property	Value	Unit	Source
ΔfusH°	57.26	kJ/mol	Joback Calculated Property
ΔvapH°	110.62	kJ/mol	Relay (1.0) Calculated Property
log10WS	-6.23		Relay (1.0) Calculated Property
logPoct/wat	6.232		Crippen Calculated Property
McVol	348.740	ml/mol	McGowan Calculated Property
Inp	[2647.00; 2647.00]
Inp	2647.00		NIST
Inp	2647.00		NIST
Tboil	644.72	K	Relay (1.0) Calculated Property
Tc	844.36	K	Relay (1.0) Calculated Property
Tfus	290.52	K	Relay (1.0) Calculated Property

Cheméo can also estimate Critical Pressure, Critical Volume, Enthalpy of formation at standard conditions, Standard Gibbs free energy of formation, Acentric Factor, Ionization energy for this compound, but they fall outside the models' validated range, so they are not shown here. Open the prediction tool to compute them on demand.

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[1171.41; 1264.85]	J/mol×K	[878.76; 1077.96]
Cp,gas	1171.41	J/mol×K	878.76	Joback Calculated Property
Cp,gas	1190.80	J/mol×K	911.96	Joback Calculated Property
Cp,gas	1208.62	J/mol×K	945.16	Joback Calculated Property
Cp,gas	1224.90	J/mol×K	978.36	Joback Calculated Property
Cp,gas	1239.68	J/mol×K	1011.56	Joback Calculated Property
Cp,gas	1252.99	J/mol×K	1044.76	Joback Calculated Property
Cp,gas	1264.85	J/mol×K	1077.96	Joback Calculated Property
η	[0.0000302; 0.0012206]	Pa×s	[433.80; 878.76]
η	0.0012206	Pa×s	433.80	Joback Calculated Property
η	0.0004202	Pa×s	507.96	Joback Calculated Property
η	0.0001898	Pa×s	582.12	Joback Calculated Property
η	0.0001026	Pa×s	656.28	Joback Calculated Property
η	0.0000629	Pa×s	730.44	Joback Calculated Property
η	0.0000421	Pa×s	804.60	Joback Calculated Property
η	0.0000302	Pa×s	878.76	Joback Calculated Property

Similar Compounds

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

Sources

• Cheméo Relay (1.0)
• Cheméo Relay (1.0, beta) Beta: served but experimental, data-limited and below our cross-validation release bar; the Joback value is recommended where available.
• Crippen Method
• Crippen Method
• Joback Method
• McGowan Method
• NIST Webbook

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