Chemical Properties of Carbonic acid, propargyl 3,5-difluophenyl ester

InChI

InChI=1S/C10H6F2O3/c1-2-3-14-10(13)15-9-5-7(11)4-8(12)6-9/h1,4-6H,3H2

InChI Key

DFPDNMFLPHKJON-UHFFFAOYSA-N

Formula

C10H6F2O3

SMILES

C#CCOC(=O)Oc1cc(F)cc(F)c1

Molecular Weight¹

212.15

• C_p,gas : Ideal gas heat capacity (J/mol×K).
• Δ_fusH° : Enthalpy of fusion at standard conditions (kJ/mol).
• logP_oct/wat : Octanol/Water partition coefficient.
• McVol : McGowan's characteristic volume (ml/mol).
• I_np : Non-polar retention indices.
• T_boil : Normal Boiling Point Temperature (K).
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Property	Value	Unit	Source
ΔfusH°	29.61	kJ/mol	Joback Calculated Property
logPoct/wat	2.113		Crippen Calculated Property
McVol	136.250	ml/mol	McGowan Calculated Property
Inp	[1249.00; 1249.00]
Inp	1249.00		NIST
Inp	1249.00		NIST
Tboil	507.93	K	Relay (1.0) Calculated Property

Cheméo can also estimate 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, Ionization energy, 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
Cp,gas	[202.42; 393.70]	J/mol×K	[273.00; 1000.00]	Joback Predicted correlation
Equation			Y = A + B·T + C·T² + D·T³ + E·T⁴ Y is Cp,gas in J/mol×K, T in K
Coefficient A			6.53610e+01
Coefficient B			5.67600e-01
Coefficient C			-2.40450e-04
Coefficient D			1.19000e-09
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	202.42	J/mol×K	273.00	Calculated Property
Cp,gas	236.12	J/mol×K	353.78	Calculated Property
Cp,gas	266.71	J/mol×K	434.56	Calculated Property
Cp,gas	294.17	J/mol×K	515.33	Calculated Property
Cp,gas	318.52	J/mol×K	596.11	Calculated Property
Cp,gas	339.76	J/mol×K	676.89	Calculated Property
Cp,gas	357.90	J/mol×K	757.67	Calculated Property
Cp,gas	372.93	J/mol×K	838.44	Calculated Property
Cp,gas	384.86	J/mol×K	919.22	Calculated Property
Cp,gas	393.70	J/mol×K	1000.00	Calculated Property

Similar Compounds

Find more compounds similar to Carbonic acid, propargyl 3,5-difluophenyl 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

Note: Cheméo is only indexing the data, follow the source links to retrieve the latest data. The source is also providing more information like the publication year, authors and more. Take the time to validate and double check the source of the data.
Calculated This icon marks a calculated value or equation: a prediction, not a measurement.
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