Chemical Properties of Cyclopropanecarboxylic acid, trans-2-phenyl-, 2,2,3,3-tetrafluoropropyl ester

InChI

InChI=1S/C13H12F4O2/c14-12(15)13(16,17)7-19-11(18)10-6-9(10)8-4-2-1-3-5-8/h1-5,9-10,12H,6-7H2

InChI Key

DXPQVJBVQPBVMP-UHFFFAOYSA-N

Formula

C13H12F4O2

SMILES

O=C(OCC(F)(F)C(F)F)C1CC1c1ccccc1

Molecular Weight¹

276.23

• 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	0.5235		Relay (... Calculated Property
ΔfG°	-788.73	kJ/mol	Joback Calculated Property
ΔfH°gas	-1064.45	kJ/mol	Relay (... Calculated Property
ΔfusH°	26.84	kJ/mol	Joback Calculated Property
ΔvapH°	74.28	kJ/mol	Relay (... Calculated Property
IE	9.40	eV	Relay (... Calculated Property
log10WS	-3.91		Relay (... Calculated Property
logPoct/wat	3.234		Crippen Calculated Property
McVol	173.930	ml/mol	McGowan Calculated Property
Pc	2173.43	kPa	Joback Calculated Property
Inp	[1512.00; 1512.00]
Inp	1512.00		NIST
Inp	1512.00		NIST
Tboil	525.22	K	Relay (... Calculated Property
Tc	750.19	K	Relay (... Calculated Property
Tfus	318.27	K	Relay (... Calculated Property
Vc	0.647	m3/kmol	Relay (... Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[466.71; 542.92]	J/mol×K	[595.29; 790.03]
Cp,gas	466.71	J/mol×K	595.29	Joback Calculated Property
Cp,gas	481.76	J/mol×K	627.75	Joback Calculated Property
Cp,gas	495.80	J/mol×K	660.20	Joback Calculated Property
Cp,gas	508.88	J/mol×K	692.66	Joback Calculated Property
Cp,gas	521.06	J/mol×K	725.12	Joback Calculated Property
Cp,gas	532.39	J/mol×K	757.57	Joback Calculated Property
Cp,gas	542.92	J/mol×K	790.03	Joback Calculated Property

Similar Compounds

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

Sources

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

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