Chemical Properties of 2-Ethylbutyric acid, pentafluorophenyl ester

InChI

InChI=1S/C12H11F5O2/c1-3-5(4-2)12(18)19-11-9(16)7(14)6(13)8(15)10(11)17/h5H,3-4H2,1-2H3

InChI Key

KSUBCWUYTDAQEG-UHFFFAOYSA-N

Formula

C12H11F5O2

SMILES

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

Molecular Weight¹

282.21

• 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°	-1095.99	kJ/mol	Joback Calculated Property
ΔfH°gas	-1342.46	kJ/mol	Joback Calculated Property
ΔfusH°	33.60	kJ/mol	Joback Calculated Property
ΔvapH°	52.58	kJ/mol	Joback Calculated Property
log10WS	-4.88		Crippen Calculated Property
logPoct/wat	3.724		Crippen Calculated Property
McVol	172.470	ml/mol	McGowan Calculated Property
Pc	1915.26	kPa	Joback Calculated Property
Inp	[1219.00; 1219.00]
Inp	1219.00		NIST
Inp	1219.00		NIST
Tboil	597.74	K	Joback Calculated Property
Tc	771.09	K	Joback Calculated Property
Tfus	374.13	K	Joback Calculated Property
Vc	0.708	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[433.19; 494.19]	J/mol×K	[597.74; 771.09]
Cp,gas	433.19	J/mol×K	597.74	Joback Calculated Property
Cp,gas	444.56	J/mol×K	626.63	Joback Calculated Property
Cp,gas	455.45	J/mol×K	655.52	Joback Calculated Property
Cp,gas	465.86	J/mol×K	684.41	Joback Calculated Property
Cp,gas	475.78	J/mol×K	713.31	Joback Calculated Property
Cp,gas	485.23	J/mol×K	742.20	Joback Calculated Property
Cp,gas	494.19	J/mol×K	771.09	Joback Calculated Property

Similar Compounds

Find more compounds similar to 2-Ethylbutyric acid, pentafluorophenyl ester.

Sources

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

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