Chemical Properties of Fumaric acid, 2-methylpentyl 2-ethylhexyl ester

InChI

InChI=1S/C18H32O4/c1-5-8-10-16(7-3)14-22-18(20)12-11-17(19)21-13-15(4)9-6-2/h11-12,15-16H,5-10,13-14H2,1-4H3/b12-11+

InChI Key

MDUKDEAVKVEWIZ-VAWYXSNFSA-N

Formula

C18H32O4

SMILES

CCCCC(CC)COC(=O)C=CC(=O)OCC(C)CCC

Molecular Weight¹

312.44

• ω : Acentric Factor.
• C_p,gas : Ideal gas heat capacity (J/mol×K).
• η : Dynamic viscosity (Pa×s).
• 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).
• V_c : Critical Volume (m³/kmol).
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Property	Value	Unit	Source
ω	0.8535		Relay (1.0) Calculated Property
ΔfusH°	44.27	kJ/mol	Joback Calculated Property
ΔvapH°	91.53	kJ/mol	Relay (1.0) Calculated Property
log10WS	-5.35		Relay (1.0) Calculated Property
logPoct/wat	4.282		Crippen Calculated Property
McVol	275.060	ml/mol	McGowan Calculated Property
Pc	1215.74	kPa	Joback Calculated Property
Inp	[2065.00; 2065.00]
Inp	2065.00		NIST
Inp	2065.00		NIST
Tboil	593.89	K	Relay (1.0) Calculated Property
Tc	759.73	K	Relay (1.0) Calculated Property
Tfus	224.78	K	Relay (1.0) Calculated Property
Vc	0.994	m3/kmol	Relay (1.0) Calculated Property

Cheméo can also estimate Enthalpy of formation at standard conditions, Standard Gibbs free energy of formation, 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	[811.05; 901.84]	J/mol×K	[731.16; 911.24]
Cp,gas	811.05	J/mol×K	731.16	Joback Calculated Property
Cp,gas	828.58	J/mol×K	761.17	Joback Calculated Property
Cp,gas	845.12	J/mol×K	791.19	Joback Calculated Property
Cp,gas	860.69	J/mol×K	821.20	Joback Calculated Property
Cp,gas	875.32	J/mol×K	851.21	Joback Calculated Property
Cp,gas	889.03	J/mol×K	881.22	Joback Calculated Property
Cp,gas	901.84	J/mol×K	911.24	Joback Calculated Property
η	[0.0000416; 0.0034199]	Pa×s	[342.20; 731.16]
η	0.0034199	Pa×s	342.20	Joback Calculated Property
η	0.0009134	Pa×s	407.03	Joback Calculated Property
η	0.0003506	Pa×s	471.85	Joback Calculated Property
η	0.0001696	Pa×s	536.68	Joback Calculated Property
η	0.0000960	Pa×s	601.51	Joback Calculated Property
η	0.0000606	Pa×s	666.33	Joback Calculated Property
η	0.0000416	Pa×s	731.16	Joback Calculated Property

Similar Compounds

Find more compounds similar to Fumaric acid, 2-methylpentyl 2-ethylhexyl ester.

Sources

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

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