Chemical Properties of Butyric acid, 2-phenyl-, 2,2,3,3-tetrafluoropropyl ester

InChI

InChI=1S/C13H14F4O2/c1-2-10(9-6-4-3-5-7-9)11(18)19-8-13(16,17)12(14)15/h3-7,10,12H,2,8H2,1H3

InChI Key

HDDMAXKBAVFEMN-UHFFFAOYSA-N

Formula

C13H14F4O2

SMILES

CCC(C(=O)OCC(F)(F)C(F)F)c1ccccc1

Molecular Weight¹

278.24

• 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°	-844.21	kJ/mol	Joback Calculated Property
ΔfH°gas	-1123.67	kJ/mol	Joback Calculated Property
ΔfusH°	24.11	kJ/mol	Joback Calculated Property
ΔvapH°	50.62	kJ/mol	Joback Calculated Property
log10WS	-3.82		Crippen Calculated Property
logPoct/wat	3.624		Crippen Calculated Property
McVol	184.790	ml/mol	McGowan Calculated Property
Pc	2003.70	kPa	Joback Calculated Property
Inp	[1350.00; 1350.00]
Inp	1350.00		NIST
Inp	1350.00		NIST
Tboil	592.78	K	Joback Calculated Property
Tc	779.13	K	Joback Calculated Property
Tfus	309.63	K	Joback Calculated Property
Vc	0.729	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[479.76; 554.01]	J/mol×K	[592.78; 779.13]
Cp,gas	479.76	J/mol×K	592.78	Joback Calculated Property
Cp,gas	494.22	J/mol×K	623.84	Joback Calculated Property
Cp,gas	507.80	J/mol×K	654.90	Joback Calculated Property
Cp,gas	520.53	J/mol×K	685.95	Joback Calculated Property
Cp,gas	532.46	J/mol×K	717.01	Joback Calculated Property
Cp,gas	543.61	J/mol×K	748.07	Joback Calculated Property
Cp,gas	554.01	J/mol×K	779.13	Joback Calculated Property

Similar Compounds

Find more compounds similar to Butyric acid, 2-phenyl-, 2,2,3,3-tetrafluoropropyl ester.

Sources

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

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