Chemical Properties of Heptafluorobutyric acid, 2-isopropoxyphenyl ester

InChI

InChI=1S/C13H11F7O3/c1-7(2)22-8-5-3-4-6-9(8)23-10(21)11(14,15)12(16,17)13(18,19)20/h3-7H,1-2H3

InChI Key

ROJCOPNQPRDSSD-UHFFFAOYSA-N

Formula

C13H11F7O3

SMILES

CC(C)Oc1ccccc1OC(=O)C(F)(F)C(F)(F)C(F)(F)F

Molecular Weight¹

348.21

• 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°	-1535.15	kJ/mol	Joback Calculated Property
ΔfH°gas	-1867.91	kJ/mol	Joback Calculated Property
ΔfusH°	22.85	kJ/mol	Joback Calculated Property
ΔvapH°	49.04	kJ/mol	Joback Calculated Property
log10WS	-4.98		Crippen Calculated Property
logPoct/wat	4.212		Crippen Calculated Property
McVol	195.970	ml/mol	McGowan Calculated Property
Pc	1778.84	kPa	Joback Calculated Property
Inp	[1221.00; 1221.00]
Inp	1221.00		NIST
Inp	1221.00		NIST
Tboil	611.97	K	Joback Calculated Property
Tc	790.74	K	Joback Calculated Property
Tfus	365.99	K	Joback Calculated Property
Vc	0.784	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[535.98; 601.77]	J/mol×K	[611.97; 790.74]
Cp,gas	535.98	J/mol×K	611.97	Joback Calculated Property
Cp,gas	549.02	J/mol×K	641.77	Joback Calculated Property
Cp,gas	561.17	J/mol×K	671.56	Joback Calculated Property
Cp,gas	572.48	J/mol×K	701.36	Joback Calculated Property
Cp,gas	582.98	J/mol×K	731.15	Joback Calculated Property
Cp,gas	592.73	J/mol×K	760.95	Joback Calculated Property
Cp,gas	601.77	J/mol×K	790.74	Joback Calculated Property

Similar Compounds

Find more compounds similar to Heptafluorobutyric acid, 2-isopropoxyphenyl ester.

Sources

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

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