Chemical Properties of Fumaric acid, 2,4-dimethylpent-3-yl heptadecyl ester

InChI

InChI=1S/C28H52O4/c1-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-23-31-26(29)21-22-27(30)32-28(24(2)3)25(4)5/h21-22,24-25,28H,6-20,23H2,1-5H3/b22-21+

InChI Key

OTDFXGNVPWSINA-QURGRASLSA-N

Formula

C28H52O4

SMILES

CCCCCCCCCCCCCCCCCOC(=O)C=CC(=O)OC(C(C)C)C(C)C

Molecular Weight¹

452.71

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

Physical Properties

Property	Value	Unit	Source
ΔfH°gas	-1141.50	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	63.48	kJ/mol	Joback Calculated Property
ΔvapH°	125.38	kJ/mol	Relay (1.0) Calculated Property
log10WS	-8.30		Relay (1.0) Calculated Property
logPoct/wat	8.181		Crippen Calculated Property
McVol	415.960	ml/mol	McGowan Calculated Property
Pc	715.68	kPa	Joback Calculated Property
Inp	[3026.00; 3026.00]
Inp	3026.00		NIST
Inp	3026.00		NIST
Tboil	657.15	K	Relay (1.0) Calculated Property
Tc	838.51	K	Relay (1.0) Calculated Property
Tfus	293.56	K	Relay (1.0) Calculated Property

Cheméo can also estimate Critical Volume, 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	[1447.33; 1551.32]	J/mol×K	[995.46; 1227.17]
Cp,gas	1447.33	J/mol×K	995.46	Joback Calculated Property
Cp,gas	1468.77	J/mol×K	1034.08	Joback Calculated Property
Cp,gas	1488.46	J/mol×K	1072.70	Joback Calculated Property
Cp,gas	1506.48	J/mol×K	1111.32	Joback Calculated Property
Cp,gas	1522.90	J/mol×K	1149.94	Joback Calculated Property
Cp,gas	1537.82	J/mol×K	1188.55	Joback Calculated Property
Cp,gas	1551.32	J/mol×K	1227.17	Joback Calculated Property
η	[0.0000104; 0.0004493]	Pa×s	[499.56; 995.46]
η	0.0004493	Pa×s	499.56	Joback Calculated Property
η	0.0001538	Pa×s	582.21	Joback Calculated Property
η	0.0000687	Pa×s	664.86	Joback Calculated Property
η	0.0000367	Pa×s	747.51	Joback Calculated Property
η	0.0000222	Pa×s	830.16	Joback Calculated Property
η	0.0000147	Pa×s	912.81	Joback Calculated Property
η	0.0000104	Pa×s	995.46	Joback Calculated Property

Similar Compounds

Find more compounds similar to Fumaric acid, 2,4-dimethylpent-3-yl heptadecyl ester.

Sources

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

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