Chemical Properties of Butyric acid, 2-phenyl-, 1,1,1-trifluoroprop-2-yl ester

InChI

InChI=1S/C13H15F3O2/c1-3-11(10-7-5-4-6-8-10)12(17)18-9(2)13(14,15)16/h4-9,11H,3H2,1-2H3

InChI Key

YDRHIWSKEIHPHF-UHFFFAOYSA-N

Formula

C13H15F3O2

SMILES

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

Molecular Weight¹

260.25

• 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°	-649.40	kJ/mol	Joback Calculated Property
ΔfH°gas	-927.56	kJ/mol	Joback Calculated Property
ΔfusH°	21.03	kJ/mol	Joback Calculated Property
ΔvapH°	51.44	kJ/mol	Joback Calculated Property
log10WS	-3.97		Crippen Calculated Property
logPoct/wat	3.674		Crippen Calculated Property
McVol	183.020	ml/mol	McGowan Calculated Property
Pc	2086.93	kPa	Joback Calculated Property
Inp	[1264.00; 1264.00]
Inp	1264.00		NIST
Inp	1264.00		NIST
Tboil	593.51	K	Joback Calculated Property
Tc	788.14	K	Joback Calculated Property
Tfus	309.04	K	Joback Calculated Property
Vc	0.711	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[471.63; 548.97]	J/mol×K	[593.51; 788.14]
Cp,gas	471.63	J/mol×K	593.51	Joback Calculated Property
Cp,gas	486.76	J/mol×K	625.95	Joback Calculated Property
Cp,gas	500.94	J/mol×K	658.39	Joback Calculated Property
Cp,gas	514.21	J/mol×K	690.83	Joback Calculated Property
Cp,gas	526.61	J/mol×K	723.26	Joback Calculated Property
Cp,gas	538.19	J/mol×K	755.70	Joback Calculated Property
Cp,gas	548.97	J/mol×K	788.14	Joback Calculated Property

Similar Compounds

Find more compounds similar to Butyric acid, 2-phenyl-, 1,1,1-trifluoroprop-2-yl ester.

Sources

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

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