Chemical Properties of 2-Ethylbutyric acid, 2-chloro-6-fluorophenyl ester

InChI

InChI=1S/C12H14ClFO2/c1-3-8(4-2)12(15)16-11-9(13)6-5-7-10(11)14/h5-8H,3-4H2,1-2H3

InChI Key

PBVFENYSILSOAV-UHFFFAOYSA-N

Formula

C12H14ClFO2

SMILES

CCC(CC)C(=O)Oc1c(F)cccc1Cl

Molecular Weight¹

244.69

• 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°	-299.79	kJ/mol	Joback Calculated Property
ΔfH°gas	-539.35	kJ/mol	Joback Calculated Property
ΔfusH°	26.64	kJ/mol	Joback Calculated Property
ΔvapH°	58.24	kJ/mol	Joback Calculated Property
log10WS	-4.23		Crippen Calculated Property
logPoct/wat	3.821		Crippen Calculated Property
McVol	177.630	ml/mol	McGowan Calculated Property
Pc	2274.07	kPa	Joback Calculated Property
Inp	[1503.00; 1503.00]
Inp	1503.00		NIST
Inp	1503.00		NIST
Tboil	623.15	K	Joback Calculated Property
Tc	829.57	K	Joback Calculated Property
Tfus	364.13	K	Joback Calculated Property
Vc	0.684	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[429.19; 498.75]	J/mol×K	[623.15; 829.57]
Cp,gas	429.19	J/mol×K	623.15	Joback Calculated Property
Cp,gas	442.65	J/mol×K	657.55	Joback Calculated Property
Cp,gas	455.34	J/mol×K	691.96	Joback Calculated Property
Cp,gas	467.28	J/mol×K	726.36	Joback Calculated Property
Cp,gas	478.49	J/mol×K	760.77	Joback Calculated Property
Cp,gas	488.97	J/mol×K	795.17	Joback Calculated Property
Cp,gas	498.75	J/mol×K	829.57	Joback Calculated Property

Similar Compounds

Find more compounds similar to 2-Ethylbutyric acid, 2-chloro-6-fluorophenyl 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.