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

InChI

InChI=1S/C16H28O4/c1-6-7-8-11-19-14(17)9-10-15(18)20-16(12(2)3)13(4)5/h9-10,12-13,16H,6-8,11H2,1-5H3/b10-9+

InChI Key

KOMOPXYWOALZFF-MDZDMXLPSA-N

Formula

C16H28O4

SMILES

CCCCCOC(=O)C=CC(=O)OC(C(C)C)C(C)C

Molecular Weight¹

284.39

• ω : Acentric Factor.
• C_p,gas : Ideal gas heat capacity (J/mol×K).
• η : Dynamic viscosity (Pa×s).
• Δ_fG° : Standard Gibbs free energy of formation (kJ/mol).
• 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).
• IE : Ionization energy (eV).
• 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).
• V_c : Critical Volume (m³/kmol).
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Property	Value	Unit	Source
ω	0.7709		Relay (1.0) Calculated Property
ΔfG°	-311.10	kJ/mol	Joback Calculated Property
ΔfH°gas	-905.34	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	32.40	kJ/mol	Joback Calculated Property
ΔvapH°	77.67	kJ/mol	Relay (1.0) Calculated Property
IE	9.88	eV	Relay (1.0) Calculated Property
log10WS	-4.54		Relay (1.0) Calculated Property
logPoct/wat	3.500		Crippen Calculated Property
McVol	246.880	ml/mol	McGowan Calculated Property
Pc	1495.35	kPa	Joback Calculated Property
Inp	[1824.00; 1824.00]
Inp	1824.00		NIST
Inp	1824.00		NIST
Tboil	565.10	K	Relay (1.0) Calculated Property
Tc	726.90	K	Relay (1.0) Calculated Property
Tfus	255.96	K	Relay (1.0) Calculated Property
Vc	0.879	m3/kmol	Relay (1.0) Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[711.89; 799.03]	J/mol×K	[720.90; 908.21]
Cp,gas	711.89	J/mol×K	720.90	Joback Calculated Property
Cp,gas	728.60	J/mol×K	752.12	Joback Calculated Property
Cp,gas	744.41	J/mol×K	783.34	Joback Calculated Property
Cp,gas	759.34	J/mol×K	814.55	Joback Calculated Property
Cp,gas	773.41	J/mol×K	845.77	Joback Calculated Property
Cp,gas	786.63	J/mol×K	876.99	Joback Calculated Property
Cp,gas	799.03	J/mol×K	908.21	Joback Calculated Property
η	[0.0000631; 0.0022829]	Pa×s	[364.32; 720.90]
η	0.0022829	Pa×s	364.32	Joback Calculated Property
η	0.0008252	Pa×s	423.75	Joback Calculated Property
η	0.0003832	Pa×s	483.18	Joback Calculated Property
η	0.0002105	Pa×s	542.61	Joback Calculated Property
η	0.0001301	Pa×s	602.04	Joback Calculated Property
η	0.0000877	Pa×s	661.47	Joback Calculated Property
η	0.0000631	Pa×s	720.90	Joback Calculated Property

Similar Compounds

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

Sources

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

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