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

InChI

InChI=1S/C26H46O4/c1-4-5-6-7-8-9-10-11-12-13-16-20-29-25(27)23-17-14-15-18-24(23)26(28)30-21-19-22(2)3/h14-15,22-24H,4-13,16-21H2,1-3H3

InChI Key

PMSVJCAASHARQZ-UHFFFAOYSA-N

Formula

C26H46O4

SMILES

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

Molecular Weight¹

422.64

• 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°	62.44	kJ/mol	Joback Calculated Property
ΔvapH°	118.62	kJ/mol	Relay (1.0) Calculated Property
log10WS	-6.84		Relay (1.0) Calculated Property
logPoct/wat	7.012		Crippen Calculated Property
McVol	376.920	ml/mol	McGowan Calculated Property
Inp	[2845.00; 2845.00]
Inp	2845.00		NIST
Inp	2845.00		NIST
Tboil	658.24	K	Relay (1.0) Calculated Property
Tc	859.55	K	Relay (1.0) Calculated Property
Tfus	297.96	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	[1297.38; 1389.50]	J/mol×K	[924.52; 1131.88]
Cp,gas	1297.38	J/mol×K	924.52	Joback Calculated Property
Cp,gas	1316.96	J/mol×K	959.08	Joback Calculated Property
Cp,gas	1334.79	J/mol×K	993.64	Joback Calculated Property
Cp,gas	1350.92	J/mol×K	1028.20	Joback Calculated Property
Cp,gas	1365.38	J/mol×K	1062.76	Joback Calculated Property
Cp,gas	1378.23	J/mol×K	1097.32	Joback Calculated Property
Cp,gas	1389.50	J/mol×K	1131.88	Joback Calculated Property
η	[0.0000223; 0.0009249]	Pa×s	[456.34; 924.52]
η	0.0009249	Pa×s	456.34	Joback Calculated Property
η	0.0003160	Pa×s	534.37	Joback Calculated Property
η	0.0001419	Pa×s	612.40	Joback Calculated Property
η	0.0000764	Pa×s	690.43	Joback Calculated Property
η	0.0000466	Pa×s	768.46	Joback Calculated Property
η	0.0000312	Pa×s	846.49	Joback Calculated Property
η	0.0000223	Pa×s	924.52	Joback Calculated Property

Similar Compounds

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

Note: Cheméo is only indexing the data, follow the source links to retrieve the latest data. The source is also providing more information like the publication year, authors and more. Take the time to validate and double check the source of the data.
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