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

InChI

InChI=1S/C17H30O4/c1-6-7-8-9-12-20-15(18)10-11-16(19)21-17(13(2)3)14(4)5/h10-11,13-14,17H,6-9,12H2,1-5H3/b11-10+

InChI Key

WDPSXHOYSAAWSY-ZHACJKMWSA-N

Formula

C17H30O4

SMILES

CCCCCCOC(=O)C=CC(=O)OC(C(C)C)C(C)C

Molecular Weight¹

298.42

• 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	-924.08	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	38.16	kJ/mol	Joback Calculated Property
ΔvapH°	82.41	kJ/mol	Relay (1.0) Calculated Property
log10WS	-4.89		Relay (1.0) Calculated Property
logPoct/wat	3.890		Crippen Calculated Property
McVol	260.970	ml/mol	McGowan Calculated Property
Pc	1308.95	kPa	Joback Calculated Property
Inp	[1923.00; 1923.00]
Inp	1923.00		NIST
Inp	1923.00		NIST
Tboil	575.62	K	Relay (1.0) Calculated Property
Tc	742.16	K	Relay (1.0) Calculated Property
Tfus	251.85	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	[754.17; 844.59]	J/mol×K	[707.84; 889.91]
Cp,gas	754.17	J/mol×K	707.84	Joback Calculated Property
Cp,gas	771.63	J/mol×K	738.19	Joback Calculated Property
Cp,gas	788.10	J/mol×K	768.53	Joback Calculated Property
Cp,gas	803.61	J/mol×K	798.88	Joback Calculated Property
Cp,gas	818.19	J/mol×K	829.22	Joback Calculated Property
Cp,gas	831.84	J/mol×K	859.57	Joback Calculated Property
Cp,gas	844.59	J/mol×K	889.91	Joback Calculated Property
η	[0.0000445; 0.0058103]	Pa×s	[315.93; 707.84]
η	0.0058103	Pa×s	315.93	Joback Calculated Property
η	0.0012865	Pa×s	381.25	Joback Calculated Property
η	0.0004427	Pa×s	446.57	Joback Calculated Property
η	0.0002000	Pa×s	511.88	Joback Calculated Property
η	0.0001082	Pa×s	577.20	Joback Calculated Property
η	0.0000663	Pa×s	642.52	Joback Calculated Property
η	0.0000445	Pa×s	707.84	Joback Calculated Property

Similar Compounds

Find more compounds similar to Fumaric acid, 2,4-dimethylpent-3-yl hexyl 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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