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°	41.11	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	1288.36	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	[826.20; 915.59]	J/mol×K	[767.10; 952.42]
Cp,gas	826.20	J/mol×K	767.10	Joback Calculated Property
Cp,gas	843.39	J/mol×K	797.99	Joback Calculated Property
Cp,gas	859.63	J/mol×K	828.87	Joback Calculated Property
Cp,gas	874.95	J/mol×K	859.76	Joback Calculated Property
Cp,gas	889.37	J/mol×K	890.65	Joback Calculated Property
Cp,gas	902.91	J/mol×K	921.53	Joback Calculated Property
Cp,gas	915.59	J/mol×K	952.42	Joback Calculated Property
η	[0.0000519; 0.0014223]	Pa×s	[401.86; 767.10]
η	0.0014223	Pa×s	401.86	Joback Calculated Property
η	0.0005699	Pa×s	462.73	Joback Calculated Property
η	0.0002825	Pa×s	523.61	Joback Calculated Property
η	0.0001620	Pa×s	584.48	Joback Calculated Property
η	0.0001032	Pa×s	645.35	Joback Calculated Property
η	0.0000711	Pa×s	706.23	Joback Calculated Property
η	0.0000519	Pa×s	767.10	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

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.
These property values are available through the Cheméo API. A free account gives you an access key.