Chemical Properties of Fumaric acid, decyl 3,4-dimethoxyphenyl ester

InChI

InChI=1S/C22H32O6/c1-4-5-6-7-8-9-10-11-16-27-21(23)14-15-22(24)28-18-12-13-19(25-2)20(17-18)26-3/h12-15,17H,4-11,16H2,1-3H3/b15-14+

InChI Key

QDBMQXJLGLUEKA-CCEZHUSRSA-N

Formula

C22H32O6

SMILES

CCCCCCCCCCOC(=O)C=CC(=O)Oc1ccc(OC)c(OC)c1

Molecular Weight¹

392.49

• 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_fus : Normal melting (fusion) point (K).
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Property	Value	Unit	Source
ΔfH°gas	-1032.64	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	57.31	kJ/mol	Joback Calculated Property
ΔvapH°	116.52	kJ/mol	Relay (1.0) Calculated Property
log10WS	-5.96		Relay (1.0) Calculated Property
logPoct/wat	4.849		Crippen Calculated Property
McVol	319.400	ml/mol	McGowan Calculated Property
Pc	1110.37	kPa	Joback Calculated Property
Inp	[2998.00; 2998.00]
Inp	2998.00		NIST
Inp	2998.00		NIST
Tboil	659.69	K	Relay (1.0) Calculated Property
Tfus	338.99	K	Relay (1.0) Calculated Property

Cheméo can also estimate Critical Temperature, 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	[1014.28; 1083.33]	J/mol×K	[905.04; 1111.03]
Cp,gas	1014.28	J/mol×K	905.04	Joback Calculated Property
Cp,gas	1029.30	J/mol×K	939.37	Joback Calculated Property
Cp,gas	1042.90	J/mol×K	973.70	Joback Calculated Property
Cp,gas	1055.09	J/mol×K	1008.03	Joback Calculated Property
Cp,gas	1065.88	J/mol×K	1042.37	Joback Calculated Property
Cp,gas	1075.29	J/mol×K	1076.70	Joback Calculated Property
Cp,gas	1083.33	J/mol×K	1111.03	Joback Calculated Property
η	[0.0000155; 0.0002534]	Pa×s	[513.20; 905.04]
η	0.0002534	Pa×s	513.20	Joback Calculated Property
η	0.0001223	Pa×s	578.51	Joback Calculated Property
η	0.0000684	Pa×s	643.81	Joback Calculated Property
η	0.0000426	Pa×s	709.12	Joback Calculated Property
η	0.0000287	Pa×s	774.43	Joback Calculated Property
η	0.0000206	Pa×s	839.73	Joback Calculated Property
η	0.0000155	Pa×s	905.04	Joback Calculated Property

Similar Compounds

Find more compounds similar to Fumaric acid, decyl 3,4-dimethoxyphenyl ester.

Sources

• Cheméo Relay (1.0)
• 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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