Chemical Properties of 3-Methyl-3-buten-1-ol, pentafluoropropionate

InChI

InChI=1S/C8H9F5O2/c1-5(2)3-4-15-6(14)7(9,10)8(11,12)13/h1,3-4H2,2H3

InChI Key

OJKWKHSDHJRWGW-UHFFFAOYSA-N

Formula

C8H9F5O2

SMILES

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

Molecular Weight¹

232.15

• 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

Property	Value	Unit	Source
ΔfH°gas	-1435.03	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	18.83	kJ/mol	Joback Calculated Property
ΔvapH°	47.87	kJ/mol	Relay (1.0) Calculated Property
logPoct/wat	2.693		Crippen Calculated Property
McVol	135.570	ml/mol	McGowan Calculated Property
Inp	[936.90; 936.90]
Inp	936.90		NIST
Inp	936.90		NIST
Tboil	399.06	K	Relay (1.0) Calculated Property

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.

Correlations

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[219.95; 449.67]	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			-1.48000e-01
Coefficient B			9.99520e-01
Coefficient C			-7.67600e-04
Coefficient D			2.17900e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	219.95	J/mol×K	273.00	Calculated Property
Cp,gas	267.04	J/mol×K	353.78	Calculated Property
Cp,gas	307.13	J/mol×K	434.56	Calculated Property
Cp,gas	340.91	J/mol×K	515.33	Calculated Property
Cp,gas	369.07	J/mol×K	596.11	Calculated Property
Cp,gas	392.30	J/mol×K	676.89	Calculated Property
Cp,gas	411.28	J/mol×K	757.67	Calculated Property
Cp,gas	426.71	J/mol×K	838.44	Calculated Property
Cp,gas	439.28	J/mol×K	919.22	Calculated Property
Cp,gas	449.67	J/mol×K	1000.00	Calculated Property

Similar Compounds

Find more compounds similar to 3-Methyl-3-buten-1-ol, 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.
Calculated This icon marks a calculated value or equation: a prediction, not a measurement.
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