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

InChI

InChI=1S/C13H13F3O2/c1-8(13(14,15)16)18-12(17)11-7-10(11)9-5-3-2-4-6-9/h2-6,8,10-11H,7H2,1H3

InChI Key

JHAXCIFZEDXPAR-UHFFFAOYSA-N

Formula

C13H13F3O2

SMILES

CC(OC(=O)C1CC1c1ccccc1)C(F)(F)F

Molecular Weight¹

258.24

• ω : Acentric Factor.
• 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).
• IE : Ionization energy (eV).
• 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
ω	0.4765		Relay (1.0) Calculated Property
ΔfG°	-593.92	kJ/mol	Joback Calculated Property
ΔfH°gas	-928.22	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	23.76	kJ/mol	Joback Calculated Property
ΔvapH°	70.59	kJ/mol	Relay (1.0) Calculated Property
IE	9.26	eV	Relay (1.0) Calculated Property
log10WS	-3.50		Relay (1.0) Calculated Property
logPoct/wat	3.284		Crippen Calculated Property
McVol	172.160	ml/mol	McGowan Calculated Property
Pc	2267.57	kPa	Joback Calculated Property
Inp	[1416.00; 1416.00]
Inp	1416.00		NIST
Inp	1416.00		NIST
Tboil	504.52	K	Relay (1.0) Calculated Property
Tc	723.46	K	Relay (1.0) Calculated Property
Tfus	293.46	K	Relay (1.0) Calculated Property
Vc	0.629	m3/kmol	Relay (1.0) Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[458.58; 538.05]	J/mol×K	[596.02; 799.76]
Cp,gas	458.58	J/mol×K	596.02	Joback Calculated Property
Cp,gas	474.35	J/mol×K	629.98	Joback Calculated Property
Cp,gas	489.03	J/mol×K	663.93	Joback Calculated Property
Cp,gas	502.68	J/mol×K	697.89	Joback Calculated Property
Cp,gas	515.35	J/mol×K	731.85	Joback Calculated Property
Cp,gas	527.12	J/mol×K	765.80	Joback Calculated Property
Cp,gas	538.05	J/mol×K	799.76	Joback Calculated Property

Similar Compounds

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

Sources

• Cheméo Relay (1.0)
• Crippen Method
• Crippen Method
• Joback Method
• McGowan Method
• NIST Webbook

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