Chemical Properties of 3,7-Dimethyloct-6-enyl 2,3,4,5,6-pentafluorobenzoate

InChI

InChI=1S/C17H19F5O2/c1-9(2)5-4-6-10(3)7-8-24-17(23)11-12(18)14(20)16(22)15(21)13(11)19/h5,10H,4,6-8H2,1-3H3

InChI Key

QDATXLSCTYMETC-UHFFFAOYSA-N

Formula

C17H19F5O2

SMILES

CC(C)=CCCC(C)CCOC(=O)c1c(F)c(F)c(F)c(F)c1F

Molecular Weight¹

350.32

• C_p,gas : Ideal gas heat capacity (J/mol×K).
• Δ_fusH° : Enthalpy of fusion at standard conditions (kJ/mol).
• Δ_vapH° : Enthalpy of vaporization at standard conditions (kJ/mol).
• IE : Ionization energy (eV).
• 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°	47.02	kJ/mol	Joback Calculated Property
ΔvapH°	84.45	kJ/mol	Relay (1.0) Calculated Property
IE	8.94	eV	Relay (1.0) Calculated Property
logPoct/wat	5.312		Crippen Calculated Property
McVol	238.620	ml/mol	McGowan Calculated Property
Inp	[1765.00; 1765.00]
Inp	1765.00		NIST
Inp	1765.00		NIST
Tboil	565.72	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, Standard Gibbs free energy of formation, Acentric Factor, 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	[364.78; 775.79]	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			6.53340e+01
Coefficient B			1.27246e+00
Coefficient C			-6.73700e-04
Coefficient D			1.11700e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	364.78	J/mol×K	273.00	Calculated Property
Cp,gas	436.13	J/mol×K	353.78	Calculated Property
Cp,gas	500.23	J/mol×K	434.56	Calculated Property
Cp,gas	557.45	J/mol×K	515.33	Calculated Property
Cp,gas	608.12	J/mol×K	596.11	Calculated Property
Cp,gas	652.62	J/mol×K	676.89	Calculated Property
Cp,gas	691.27	J/mol×K	757.67	Calculated Property
Cp,gas	724.46	J/mol×K	838.44	Calculated Property
Cp,gas	752.51	J/mol×K	919.22	Calculated Property
Cp,gas	775.79	J/mol×K	1000.00	Calculated Property

Similar Compounds

Find more compounds similar to 3,7-Dimethyloct-6-enyl 2,3,4,5,6-pentafluorobenzoate.

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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