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

InChI

InChI=1S/C13H10F8O2/c1-7-3-2-4-8(5-7)9(22)23-6-11(16,17)13(20,21)12(18,19)10(14)15/h2-5,10H,6H2,1H3

InChI Key

RCTMJYWWMYCKPC-UHFFFAOYSA-N

Formula

C13H10F8O2

SMILES

Cc1cccc(C(=O)OCC(F)(F)C(F)(F)C(F)(F)C(F)F)c1

Molecular Weight¹

350.20

• 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°	-1624.96	kJ/mol	Joback Calculated Property
ΔfH°gas	-1931.80	kJ/mol	Joback Calculated Property
ΔfusH°	24.74	kJ/mol	Joback Calculated Property
ΔvapH°	45.81	kJ/mol	Joback Calculated Property
log10WS	-5.12		Crippen Calculated Property
logPoct/wat	4.323		Crippen Calculated Property
McVol	191.870	ml/mol	McGowan Calculated Property
Pc	1737.56	kPa	Joback Calculated Property
Inp	[1417.00; 1417.00]
Inp	1417.00		NIST
Inp	1417.00		NIST
Tboil	588.82	K	Joback Calculated Property
Tc	761.20	K	Joback Calculated Property
Tfus	344.35	K	Joback Calculated Property
Vc	0.784	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[518.10; 583.30]	J/mol×K	[588.82; 761.20]
Cp,gas	518.10	J/mol×K	588.82	Joback Calculated Property
Cp,gas	531.03	J/mol×K	617.55	Joback Calculated Property
Cp,gas	543.06	J/mol×K	646.28	Joback Calculated Property
Cp,gas	554.26	J/mol×K	675.01	Joback Calculated Property
Cp,gas	564.66	J/mol×K	703.74	Joback Calculated Property
Cp,gas	574.33	J/mol×K	732.47	Joback Calculated Property
Cp,gas	583.30	J/mol×K	761.20	Joback Calculated Property

Similar Compounds

Find more compounds similar to Benzoic acid, 3-methyl-, 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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