Chemical Properties of Succinic acid, 3-methylbut-2-en-1-yl pentafluorobenzyl ester

InChI

InChI=1S/C16H15F5O4/c1-8(2)5-6-24-10(22)3-4-11(23)25-7-9-12(17)14(19)16(21)15(20)13(9)18/h5H,3-4,6-7H2,1-2H3

InChI Key

OCTAOMYUDLEKOF-UHFFFAOYSA-N

Formula

C16H15F5O4

SMILES

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

Molecular Weight¹

366.28

• 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°	-1222.12	kJ/mol	Joback Calculated Property
ΔfH°gas	-1557.11	kJ/mol	Joback Calculated Property
ΔfusH°	49.16	kJ/mol	Joback Calculated Property
ΔvapH°	71.06	kJ/mol	Joback Calculated Property
log10WS	-5.36		Crippen Calculated Property
logPoct/wat	3.715		Crippen Calculated Property
McVol	231.970	ml/mol	McGowan Calculated Property
Pc	1509.33	kPa	Joback Calculated Property
Inp	[1925.00; 1925.00]
Inp	1925.00		NIST
Inp	1925.00		NIST
Tboil	770.03	K	Joback Calculated Property
Tc	955.19	K	Joback Calculated Property
Tfus	487.33	K	Joback Calculated Property
Vc	0.943	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[658.07; 719.53]	J/mol×K	[770.03; 955.19]
Cp,gas	658.07	J/mol×K	770.03	Joback Calculated Property
Cp,gas	670.11	J/mol×K	800.89	Joback Calculated Property
Cp,gas	681.42	J/mol×K	831.75	Joback Calculated Property
Cp,gas	692.01	J/mol×K	862.61	Joback Calculated Property
Cp,gas	701.89	J/mol×K	893.47	Joback Calculated Property
Cp,gas	711.06	J/mol×K	924.33	Joback Calculated Property
Cp,gas	719.53	J/mol×K	955.19	Joback Calculated Property

Similar Compounds

Find more compounds similar to Succinic acid, 3-methylbut-2-en-1-yl pentafluorobenzyl ester.

Sources

• Crippen Method
• Crippen Method
• Joback Method
• McGowan Method
• NIST Webbook

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