Chemical Properties of Crotyl alcohol, pentafluoropropionate

InChI

InChI=1S/C7H7F5O2/c1-2-3-4-14-5(13)6(8,9)7(10,11)12/h2-3H,4H2,1H3/b3-2+

InChI Key

XQTSJZNHOJRYQC-NSCUHMNNSA-N

Formula

C7H7F5O2

SMILES

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

Molecular Weight¹

218.12

• 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	-1420.71	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	19.03	kJ/mol	Joback Calculated Property
ΔvapH°	45.29	kJ/mol	Relay (1.0) Calculated Property
logPoct/wat	2.303		Crippen Calculated Property
McVol	121.480	ml/mol	McGowan Calculated Property
Inp	[745.60; 745.60]
Inp	745.60		NIST
Inp	745.60		NIST
Tboil	375.83	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	[194.39; 396.28]	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			-1.07390e+01
Coefficient B			9.44620e-01
Coefficient C			-7.71800e-04
Coefficient D			2.34200e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	194.39	J/mol×K	273.00	Calculated Property
Cp,gas	237.22	J/mol×K	353.78	Calculated Property
Cp,gas	273.22	J/mol×K	434.56	Calculated Property
Cp,gas	303.14	J/mol×K	515.33	Calculated Property
Cp,gas	327.71	J/mol×K	596.11	Calculated Property
Cp,gas	347.68	J/mol×K	676.89	Calculated Property
Cp,gas	363.77	J/mol×K	757.67	Calculated Property
Cp,gas	376.75	J/mol×K	838.44	Calculated Property
Cp,gas	387.34	J/mol×K	919.22	Calculated Property
Cp,gas	396.28	J/mol×K	1000.00	Calculated Property

Similar Compounds

Find more compounds similar to Crotyl 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.
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