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

InChI

InChI=1S/C28H50O4/c1-4-5-6-7-8-9-10-11-12-13-14-15-18-22-31-27(29)25-19-16-17-20-26(25)28(30)32-23-21-24(2)3/h16-17,24-26H,4-15,18-23H2,1-3H3

InChI Key

GUHJPLDKGYGRGZ-UHFFFAOYSA-N

Formula

C28H50O4

SMILES

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

Molecular Weight¹

450.70

• 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°	67.62	kJ/mol	Joback Calculated Property
ΔvapH°	126.53	kJ/mol	Relay (1.0) Calculated Property
log10WS	-7.46		Relay (1.0) Calculated Property
logPoct/wat	7.792		Crippen Calculated Property
McVol	405.100	ml/mol	McGowan Calculated Property
Inp	[3053.00; 3053.00]
Inp	3053.00		NIST
Inp	3053.00		NIST
Tboil	671.56	K	Relay (1.0) Calculated Property
Tc	873.59	K	Relay (1.0) Calculated Property
Tfus	303.23	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	[1424.77; 1515.25]	J/mol×K	[970.28; 1189.74]
Cp,gas	1424.77	J/mol×K	970.28	Joback Calculated Property
Cp,gas	1444.64	J/mol×K	1006.86	Joback Calculated Property
Cp,gas	1462.51	J/mol×K	1043.43	Joback Calculated Property
Cp,gas	1478.46	J/mol×K	1080.01	Joback Calculated Property
Cp,gas	1492.52	J/mol×K	1116.59	Joback Calculated Property
Cp,gas	1504.77	J/mol×K	1153.16	Joback Calculated Property
Cp,gas	1515.25	J/mol×K	1189.74	Joback Calculated Property
η	[0.0000163; 0.0006944]	Pa×s	[478.88; 970.28]
η	0.0006944	Pa×s	478.88	Joback Calculated Property
η	0.0002355	Pa×s	560.78	Joback Calculated Property
η	0.0001052	Pa×s	642.68	Joback Calculated Property
η	0.0000564	Pa×s	724.58	Joback Calculated Property
η	0.0000343	Pa×s	806.48	Joback Calculated Property
η	0.0000229	Pa×s	888.38	Joback Calculated Property
η	0.0000163	Pa×s	970.28	Joback Calculated Property

Similar Compounds

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