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

InChI

InChI=1S/C15H14F8O2/c1-2-10(9-6-4-3-5-7-9)11(24)25-8-13(18,19)15(22,23)14(20,21)12(16)17/h3-7,10,12H,2,8H2,1H3

InChI Key

ZPVMNKRYAMXSJY-UHFFFAOYSA-N

Formula

C15H14F8O2

SMILES

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

Molecular Weight¹

378.26

• 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°	-1600.93	kJ/mol	Joback Calculated Property
ΔfH°gas	-1966.89	kJ/mol	Joback Calculated Property
ΔfusH°	26.79	kJ/mol	Joback Calculated Property
ΔvapH°	49.22	kJ/mol	Joback Calculated Property
log10WS	-5.29		Crippen Calculated Property
logPoct/wat	4.894		Crippen Calculated Property
McVol	220.050	ml/mol	McGowan Calculated Property
Pc	1516.39	kPa	Joback Calculated Property
Inp	[1451.00; 1451.00]
Inp	1451.00		NIST
Inp	1451.00		NIST
Tboil	629.16	K	Joback Calculated Property
Tc	801.64	K	Joback Calculated Property
Tfus	339.37	K	Joback Calculated Property
Vc	0.890	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[620.01; 691.56]	J/mol×K	[629.16; 801.64]
Cp,gas	620.01	J/mol×K	629.16	Joback Calculated Property
Cp,gas	634.15	J/mol×K	657.91	Joback Calculated Property
Cp,gas	647.33	J/mol×K	686.65	Joback Calculated Property
Cp,gas	659.60	J/mol×K	715.40	Joback Calculated Property
Cp,gas	671.03	J/mol×K	744.15	Joback Calculated Property
Cp,gas	681.66	J/mol×K	772.90	Joback Calculated Property
Cp,gas	691.56	J/mol×K	801.64	Joback Calculated Property

Similar Compounds

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

Sources

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

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