Chemical Properties of Carbonic acid, allyl pentafluorobenzyl ester

InChI

InChI=1S/C11H7F5O3/c1-2-3-18-11(17)19-4-5-6(12)8(14)10(16)9(15)7(5)13/h2H,1,3-4H2

InChI Key

PIIYRRIKWCTTOL-UHFFFAOYSA-N

Formula

C11H7F5O3

SMILES

C=CCOC(=O)OCc1c(F)c(F)c(F)c(F)c1F

Molecular Weight¹

282.16

• 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°	-1119.13	kJ/mol	Joback Calculated Property
ΔfH°gas	-1323.33	kJ/mol	Joback Calculated Property
ΔfusH°	34.44	kJ/mol	Joback Calculated Property
ΔvapH°	52.48	kJ/mol	Joback Calculated Property
log10WS	-4.46		Crippen Calculated Property
logPoct/wat	3.221		Crippen Calculated Property
McVol	159.950	ml/mol	McGowan Calculated Property
Pc	2119.73	kPa	Joback Calculated Property
Inp	[1325.00; 1325.00]
Inp	1325.00		NIST
Inp	1325.00		NIST
Tboil	594.40	K	Joback Calculated Property
Tc	768.25	K	Joback Calculated Property
Tfus	398.33	K	Joback Calculated Property
Vc	0.656	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[388.72; 440.83]	J/mol×K	[594.40; 768.25]
Cp,gas	388.72	J/mol×K	594.40	Joback Calculated Property
Cp,gas	398.41	J/mol×K	623.37	Joback Calculated Property
Cp,gas	407.71	J/mol×K	652.35	Joback Calculated Property
Cp,gas	416.61	J/mol×K	681.32	Joback Calculated Property
Cp,gas	425.10	J/mol×K	710.30	Joback Calculated Property
Cp,gas	433.18	J/mol×K	739.27	Joback Calculated Property
Cp,gas	440.83	J/mol×K	768.25	Joback Calculated Property

Similar Compounds

Find more compounds similar to Carbonic acid, allyl pentafluorobenzyl ester.

Sources

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

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