Chemical Properties of Heptafluorobutyric acid, 3,5-dimethylphenyl ester

InChI

InChI=1S/C12H9F7O2/c1-6-3-7(2)5-8(4-6)21-9(20)10(13,14)11(15,16)12(17,18)19/h3-5H,1-2H3

InChI Key

KGUHSZWVKYJMGB-UHFFFAOYSA-N

Formula

C12H9F7O2

SMILES

Cc1cc(C)cc(OC(=O)C(F)(F)C(F)(F)C(F)(F)F)c1

Molecular Weight¹

318.19

• 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°	-1445.76	kJ/mol	Joback Calculated Property
ΔfH°gas	-1721.24	kJ/mol	Joback Calculated Property
ΔfusH°	22.20	kJ/mol	Joback Calculated Property
ΔvapH°	45.45	kJ/mol	Joback Calculated Property
log10WS	-4.86		Crippen Calculated Property
logPoct/wat	4.042		Crippen Calculated Property
McVol	176.010	ml/mol	McGowan Calculated Property
Pc	1921.98	kPa	Joback Calculated Property
Inp	[863.00; 863.00]
Inp	863.00		NIST
Inp	863.00		NIST
Tboil	572.09	K	Joback Calculated Property
Tc	750.82	K	Joback Calculated Property
Tfus	360.01	K	Joback Calculated Property
Vc	0.717	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[460.76; 523.43]	J/mol×K	[572.09; 750.82]
Cp,gas	460.76	J/mol×K	572.09	Joback Calculated Property
Cp,gas	473.22	J/mol×K	601.88	Joback Calculated Property
Cp,gas	484.80	J/mol×K	631.67	Joback Calculated Property
Cp,gas	495.57	J/mol×K	661.45	Joback Calculated Property
Cp,gas	505.56	J/mol×K	691.24	Joback Calculated Property
Cp,gas	514.83	J/mol×K	721.03	Joback Calculated Property
Cp,gas	523.43	J/mol×K	750.82	Joback Calculated Property

Similar Compounds

Find more compounds similar to Heptafluorobutyric acid, 3,5-dimethylphenyl ester.

Sources

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

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