Chemical Properties of 3-Phenylpropionic acid, 2,2,3,3,4,4,5,5-octafluoropentyl ester

InChI

InChI=1S/C14H12F8O2/c15-11(16)13(19,20)14(21,22)12(17,18)8-24-10(23)7-6-9-4-2-1-3-5-9/h1-5,11H,6-8H2

InChI Key

PZWWDCHGPGLXKZ-UHFFFAOYSA-N

Formula

C14H12F8O2

SMILES

O=C(CCc1ccccc1)OCC(F)(F)C(F)(F)C(F)(F)C(F)F

Molecular Weight¹

364.23

• 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	0.6583		Relay (1.0) Calculated Property
ΔfG°	-1606.91	kJ/mol	Joback Calculated Property
ΔfH°gas	-1958.29	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	27.72	kJ/mol	Joback Calculated Property
ΔvapH°	78.11	kJ/mol	Relay (1.0) Calculated Property
IE	9.30	eV	Relay (1.0) Calculated Property
log10WS	-5.33		Relay (1.0) Calculated Property
logPoct/wat	4.333		Crippen Calculated Property
McVol	205.960	ml/mol	McGowan Calculated Property
Pc	1625.91	kPa	Joback Calculated Property
Inp	[1502.00; 1502.00]
Inp	1502.00		NIST
Inp	1502.00		NIST
Tboil	544.11	K	Relay (1.0) Calculated Property
Tc	714.34	K	Relay (1.0) Calculated Property
Tfus	285.14	K	Relay (1.0) Calculated Property
Vc	0.770	m3/kmol	Relay (1.0) Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[568.30; 636.82]	J/mol×K	[606.72; 777.29]
Cp,gas	568.30	J/mol×K	606.72	Joback Calculated Property
Cp,gas	581.85	J/mol×K	635.15	Joback Calculated Property
Cp,gas	594.48	J/mol×K	663.58	Joback Calculated Property
Cp,gas	606.24	J/mol×K	692.01	Joback Calculated Property
Cp,gas	617.18	J/mol×K	720.44	Joback Calculated Property
Cp,gas	627.36	J/mol×K	748.86	Joback Calculated Property
Cp,gas	636.82	J/mol×K	777.29	Joback Calculated Property

Similar Compounds

Find more compounds similar to 3-Phenylpropionic acid, 2,2,3,3,4,4,5,5-octafluoropentyl ester.

Sources

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

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