Chemical Properties of Propargyl alcohol, pentafluoropropionate

InChI

InChI=1S/C6H3F5O2/c1-2-3-13-4(12)5(7,8)6(9,10)11/h1H,3H2

InChI Key

XUOASYRZIYWGOG-UHFFFAOYSA-N

Formula

C6H3F5O2

SMILES

C#CCOC(=O)C(F)(F)C(F)(F)F

Molecular Weight¹

202.08

• C_p,gas : Ideal gas heat capacity (J/mol×K).
• 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).
• 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

Cheméo can also estimate Normal melting (fusion) point, Critical Temperature, Critical Pressure, Critical Volume, 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.

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[215.72; 261.36]	J/mol×K	[375.11; 535.94]
Cp,gas	215.72	J/mol×K	375.11	Joback Calculated Property
Cp,gas	224.68	J/mol×K	401.91	Joback Calculated Property
Cp,gas	233.06	J/mol×K	428.72	Joback Calculated Property
Cp,gas	240.90	J/mol×K	455.52	Joback Calculated Property
Cp,gas	248.22	J/mol×K	482.33	Joback Calculated Property
Cp,gas	255.03	J/mol×K	509.13	Joback Calculated Property
Cp,gas	261.36	J/mol×K	535.94	Joback Calculated Property

Similar Compounds

Find more compounds similar to Propargyl alcohol, pentafluoropropionate.

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.
These property values are available through the Cheméo API. A free account gives you an access key.