Pentafluorobenzoic acid, but-3-yn-2-yl ester

Physical Properties

Property	Value	Unit	Source
Δ_fusH°	35.56	kJ/mol	Joback Calculated Property
IE	9.91	eV	Relay (1.0) Calculated Property
logP_oct/wat	2.561		Crippen Calculated Property
McVol	149.780	ml/mol	McGowan Calculated Property
I_np	1020.00		NIST

Cheméo can also estimate Normal Boiling Point Temperature, Normal melting (fusion) point, Critical Temperature, Critical Pressure, Critical Volume, Enthalpy of formation at standard conditions, Enthalpy of vaporization at standard conditions, Standard Gibbs free energy of formation, Acentric Factor, Log10 of Water solubility in mol/l for this compound, but they fall outside the models' validated range, so they are not shown here. Open the prediction tool to compute them on demand.

Correlations

Property	Value	Unit	Temperature (K)	Source
C_p,gas	[240.16; 439.42]	J/mol×K	[273.00; 1000.00]	Joback Predicted correlation
Equation			Y = A + B·T + C·T² + D·T³ + E·T⁴ Y is C_p,gas in J/mol×K, T in K
Coefficient A			9.84400e+01
Coefficient B			5.88620e-01
Coefficient C			-2.57130e-04
Coefficient D			9.49000e-09
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00

C_p,gas	240.16	J/mol×K	273.00	Calculated Property
C_p,gas	274.92	J/mol×K	353.78	Calculated Property
C_p,gas	306.45	J/mol×K	434.56	Calculated Property
C_p,gas	334.79	J/mol×K	515.33	Calculated Property
C_p,gas	359.96	J/mol×K	596.11	Calculated Property
C_p,gas	382.00	J/mol×K	676.89	Calculated Property
C_p,gas	400.94	J/mol×K	757.67	Calculated Property
C_p,gas	416.80	J/mol×K	838.44	Calculated Property
C_p,gas	429.62	J/mol×K	919.22	Calculated Property
C_p,gas	439.42	J/mol×K	1000.00	Calculated Property

Similar Compounds

Pentafluorobenzoic acid, isopropyl ester.

Prop-2-ynyl 2,3,4,5,6-pentafluorobenzoate.

2,3,4-trifluorobenzoic acid, but-3-yn-2-yl ester.

Pentafluorobenzoic acid, hex-4-yn-3-yl ester.

2,6-difluorobenzoic acid, but-3-yn-2-yl ester.

Ethane-1,2-diyl bis(2,3,4,5,6-pentafluorobenzoate).

2-Methoxyethyl 2,3,4,5,6-pentafluorobenzoate.

3-Methylbutan-2-yl 2,3,4,5,6-pentafluorobenzoate.

2-Ethoxyethyl 2,3,4,5,6-pentafluorobenzoate.

2,2-Dichloroethyl 2,3,4,5,6-pentafluorobenzoate.

2-(2-Ethoxyethoxy)ethyl 2,3,4,5,6-pentafluorobenzoate.

Propane-1,3-diyl bis(2,3,4,5,6-pentafluorobenzoate).

Find more compounds similar to Pentafluorobenzoic acid, but-3-yn-2-yl ester.

Sources

Cheméo Relay (1.0)
Cheméo Relay (1.0, beta) Beta: served but experimental, data-limited and below our cross-validation release bar; the Joback value is recommended where available.
Crippen Method
Crippen Method
Joback Method
McGowan Method
NIST Webbook

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Chemical Properties of Pentafluorobenzoic acid, but-3-yn-2-yl ester

Physical Properties

Correlations

Similar Compounds

Sources