Chemical Properties of Succinic acid, 3-methylbut-2-yl pentafluorophenyl ester

InChI

InChI=1S/C15H15F5O4/c1-6(2)7(3)23-8(21)4-5-9(22)24-15-13(19)11(17)10(16)12(18)14(15)20/h6-7H,4-5H2,1-3H3

InChI Key

VIOHWNFBZVGAPM-UHFFFAOYSA-N

Formula

C15H15F5O4

SMILES

CC(C)C(C)OC(=O)CCC(=O)Oc1c(F)c(F)c(F)c(F)c1F

Molecular Weight¹

354.27

• 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°	-1307.09	kJ/mol	Joback Calculated Property
ΔfH°gas	-1654.46	kJ/mol	Joback Calculated Property
ΔfusH°	40.63	kJ/mol	Joback Calculated Property
ΔvapH°	68.02	kJ/mol	Joback Calculated Property
log10WS	-5.11		Crippen Calculated Property
logPoct/wat	3.655		Crippen Calculated Property
McVol	222.180	ml/mol	McGowan Calculated Property
Pc	1575.95	kPa	Joback Calculated Property
Inp	[1649.00; 1649.00]
Inp	1649.00		NIST
Inp	1649.00		NIST
Tboil	742.23	K	Joback Calculated Property
Tc	924.65	K	Joback Calculated Property
Tfus	465.10	K	Joback Calculated Property
Vc	0.893	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[630.00; 692.82]	J/mol×K	[742.23; 924.65]
Cp,gas	630.00	J/mol×K	742.23	Joback Calculated Property
Cp,gas	642.30	J/mol×K	772.63	Joback Calculated Property
Cp,gas	653.88	J/mol×K	803.04	Joback Calculated Property
Cp,gas	664.72	J/mol×K	833.44	Joback Calculated Property
Cp,gas	674.83	J/mol×K	863.84	Joback Calculated Property
Cp,gas	684.20	J/mol×K	894.24	Joback Calculated Property
Cp,gas	692.82	J/mol×K	924.65	Joback Calculated Property

Similar Compounds

Find more compounds similar to Succinic acid, 3-methylbut-2-yl pentafluorophenyl ester.

Sources

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

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