Chemical Properties of Borneol, heptafluorobutyrate

InChI

InChI=1S/C14H17F7O2/c1-10(2)7-4-5-11(10,3)8(6-7)23-9(22)12(15,16)13(17,18)14(19,20)21/h7-8H,4-6H2,1-3H3

InChI Key

KOALQGAPEWNVJF-UHFFFAOYSA-N

Formula

C14H17F7O2

SMILES

CC1(C)C2CCC1(C)C(OC(=O)C(F)(F)C(F)(F)C(F)(F)F)C2

Molecular Weight¹

350.27

• 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°	19.42	kJ/mol	Joback Calculated Property
logPoct/wat	4.577		Crippen Calculated Property
McVol	206.230	ml/mol	McGowan Calculated Property
Inp	[1185.00; 1185.00]
Inp	1185.00		NIST
Inp	1185.00		NIST
Tboil	480.61	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	[316.72; 792.84]	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			-2.08920e+02
Coefficient B			2.56206e+00
Coefficient C			-2.62180e-03
Coefficient D			1.06150e-06
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	316.72	J/mol×K	273.00	Calculated Property
Cp,gas	416.34	J/mol×K	353.78	Calculated Property
Cp,gas	496.45	J/mol×K	434.56	Calculated Property
Cp,gas	560.40	J/mol×K	515.33	Calculated Property
Cp,gas	611.55	J/mol×K	596.11	Calculated Property
Cp,gas	653.27	J/mol×K	676.89	Calculated Property
Cp,gas	688.89	J/mol×K	757.67	Calculated Property
Cp,gas	721.79	J/mol×K	838.44	Calculated Property
Cp,gas	755.32	J/mol×K	919.22	Calculated Property
Cp,gas	792.84	J/mol×K	1000.00	Calculated Property

Similar Compounds

Find more compounds similar to Borneol, heptafluorobutyrate.

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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