Chemical Properties of Fumaric acid, pentafluorobenzyl 2-methylpent-3-yl ester

InChI

InChI=1S/C17H17F5O4/c1-4-10(8(2)3)26-12(24)6-5-11(23)25-7-9-13(18)15(20)17(22)16(21)14(9)19/h5-6,8,10H,4,7H2,1-3H3/b6-5+

InChI Key

KIFJHVPUFQAYHM-AATRIKPKSA-N

Formula

C17H17F5O4

SMILES

CCC(OC(=O)C=CC(=O)OCc1c(F)c(F)c(F)c(F)c1F)C(C)C

Molecular Weight¹

380.31

• C_p,gas : Ideal gas heat capacity (J/mol×K).
• 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).
• 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
ΔfG°	-1210.03	kJ/mol	Joback Calculated Property
ΔfH°gas	-1578.52	kJ/mol	Joback Calculated Property
ΔfusH°	46.01	kJ/mol	Joback Calculated Property
ΔvapH°	72.43	kJ/mol	Joback Calculated Property
log10WS	-5.64		Crippen Calculated Property
logPoct/wat	3.959		Crippen Calculated Property
McVol	246.060	ml/mol	McGowan Calculated Property
Pc	1414.37	kPa	Joback Calculated Property
Inp	[1925.00; 1925.00]
Inp	1925.00		NIST
Inp	1925.00		NIST
Tboil	792.15	K	Joback Calculated Property
Tc	980.17	K	Joback Calculated Property
Tfus	482.56	K	Joback Calculated Property
Vc	0.986	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[714.70; 778.46]	J/mol×K	[792.15; 980.17]
Cp,gas	714.70	J/mol×K	792.15	Joback Calculated Property
Cp,gas	727.34	J/mol×K	823.49	Joback Calculated Property
Cp,gas	739.16	J/mol×K	854.82	Joback Calculated Property
Cp,gas	750.18	J/mol×K	886.16	Joback Calculated Property
Cp,gas	760.40	J/mol×K	917.50	Joback Calculated Property
Cp,gas	769.82	J/mol×K	948.83	Joback Calculated Property
Cp,gas	778.46	J/mol×K	980.17	Joback Calculated Property

Similar Compounds

Find more compounds similar to Fumaric acid, pentafluorobenzyl 2-methylpent-3-yl ester.

Sources

• 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.