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

InChI

InChI=1S/C29H54O4/c1-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-24-32-27(30)22-23-28(31)33-29(25(2)3)26(4)5/h22-23,25-26,29H,6-21,24H2,1-5H3/b23-22+

InChI Key

DVTMOXKNWRFYKI-GHVJWSGMSA-N

Formula

C29H54O4

SMILES

CCCCCCCCCCCCCCCCCCOC(=O)C=CC(=O)OC(C(C)C)C(C)C

Molecular Weight¹

466.74

• 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	-1161.77	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	66.07	kJ/mol	Joback Calculated Property
ΔvapH°	129.28	kJ/mol	Relay (1.0) Calculated Property
log10WS	-8.60		Relay (1.0) Calculated Property
logPoct/wat	8.571		Crippen Calculated Property
McVol	430.050	ml/mol	McGowan Calculated Property
Pc	680.29	kPa	Joback Calculated Property
Inp	[3128.00; 3128.00]
Inp	3128.00		NIST
Inp	3128.00		NIST
Tboil	663.90	K	Relay (1.0) Calculated Property
Tc	845.51	K	Relay (1.0) Calculated Property
Tfus	295.90	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	[1512.24; 1618.08]	J/mol×K	[1018.34; 1260.34]
Cp,gas	1512.24	J/mol×K	1018.34	Joback Calculated Property
Cp,gas	1534.32	J/mol×K	1058.67	Joback Calculated Property
Cp,gas	1554.50	J/mol×K	1099.01	Joback Calculated Property
Cp,gas	1572.86	J/mol×K	1139.34	Joback Calculated Property
Cp,gas	1589.51	J/mol×K	1179.67	Joback Calculated Property
Cp,gas	1604.55	J/mol×K	1220.01	Joback Calculated Property
Cp,gas	1618.08	J/mol×K	1260.34	Joback Calculated Property
η	[0.0000089; 0.0003864]	Pa×s	[510.83; 1018.34]
η	0.0003864	Pa×s	510.83	Joback Calculated Property
η	0.0001318	Pa×s	595.41	Joback Calculated Property
η	0.0000588	Pa×s	680.00	Joback Calculated Property
η	0.0000313	Pa×s	764.59	Joback Calculated Property
η	0.0000189	Pa×s	849.17	Joback Calculated Property
η	0.0000125	Pa×s	933.76	Joback Calculated Property
η	0.0000089	Pa×s	1018.34	Joback Calculated Property

Similar Compounds

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

Sources

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

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