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

InChI

InChI=1S/C16H17F5O4/c1-7(2)8(3)25-11(23)5-4-10(22)24-6-9-12(17)14(19)16(21)15(20)13(9)18/h7-8H,4-6H2,1-3H3

InChI Key

KAGHWEZMJOUCOL-UHFFFAOYSA-N

Formula

C16H17F5O4

SMILES

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

Molecular Weight¹

368.30

• 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°	-1298.67	kJ/mol	Joback Calculated Property
ΔfH°gas	-1675.10	kJ/mol	Joback Calculated Property
ΔfusH°	43.22	kJ/mol	Joback Calculated Property
ΔvapH°	70.25	kJ/mol	Joback Calculated Property
log10WS	-5.37		Crippen Calculated Property
logPoct/wat	3.793		Crippen Calculated Property
McVol	236.270	ml/mol	McGowan Calculated Property
Pc	1462.37	kPa	Joback Calculated Property
Inp	[1820.00; 1820.00]
Inp	1820.00		NIST
Inp	1820.00		NIST
Tboil	765.11	K	Joback Calculated Property
Tc	948.27	K	Joback Calculated Property
Tfus	476.37	K	Joback Calculated Property
Vc	0.950	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[684.58; 749.41]	J/mol×K	[765.11; 948.27]
Cp,gas	684.58	J/mol×K	765.11	Joback Calculated Property
Cp,gas	697.36	J/mol×K	795.64	Joback Calculated Property
Cp,gas	709.35	J/mol×K	826.16	Joback Calculated Property
Cp,gas	720.55	J/mol×K	856.69	Joback Calculated Property
Cp,gas	730.97	J/mol×K	887.22	Joback Calculated Property
Cp,gas	740.59	J/mol×K	917.75	Joback Calculated Property
Cp,gas	749.41	J/mol×K	948.27	Joback Calculated Property

Similar Compounds

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

Sources

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

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