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

InChI

InChI=1S/C30H54O4/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-20-24-33-29(31)27-21-18-19-22-28(27)30(32)34-25-23-26(2)3/h18-19,26-28H,4-17,20-25H2,1-3H3

InChI Key

HIZGXUYEEGVKRA-UHFFFAOYSA-N

Formula

C30H54O4

SMILES

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

Molecular Weight¹

478.76

• 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°	72.80	kJ/mol	Joback Calculated Property
ΔvapH°	134.37	kJ/mol	Relay (1.0) Calculated Property
log10WS	-8.08		Relay (1.0) Calculated Property
logPoct/wat	8.573		Crippen Calculated Property
McVol	433.280	ml/mol	McGowan Calculated Property
Inp	[3257.00; 3257.00]
Inp	3257.00		NIST
Inp	3257.00		NIST
Tboil	684.80	K	Relay (1.0) Calculated Property
Tc	887.03	K	Relay (1.0) Calculated Property
Tfus	307.11	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	[1553.18; 1641.47]	J/mol×K	[1016.04; 1252.18]
Cp,gas	1553.18	J/mol×K	1016.04	Joback Calculated Property
Cp,gas	1573.44	J/mol×K	1055.40	Joback Calculated Property
Cp,gas	1591.37	J/mol×K	1094.75	Joback Calculated Property
Cp,gas	1607.05	J/mol×K	1134.11	Joback Calculated Property
Cp,gas	1620.58	J/mol×K	1173.46	Joback Calculated Property
Cp,gas	1632.03	J/mol×K	1212.82	Joback Calculated Property
Cp,gas	1641.47	J/mol×K	1252.18	Joback Calculated Property
η	[0.0000119; 0.0005171]	Pa×s	[501.42; 1016.04]
η	0.0005171	Pa×s	501.42	Joback Calculated Property
η	0.0001743	Pa×s	587.19	Joback Calculated Property
η	0.0000775	Pa×s	672.96	Joback Calculated Property
η	0.0000414	Pa×s	758.73	Joback Calculated Property
η	0.0000251	Pa×s	844.50	Joback Calculated Property
η	0.0000167	Pa×s	930.27	Joback Calculated Property
η	0.0000119	Pa×s	1016.04	Joback Calculated Property

Similar Compounds

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