Chemical Properties of exo-Fenchyl acetate

InChI

InChI=1S/C12H20O2/c1-8(13)14-10-11(2,3)9-5-6-12(10,4)7-9/h9-10H,5-7H2,1-4H3/t9?,10-,12?/m1/s1

InChI Key

JUWUWIGZUVEFQB-SQLBVSGCSA-N

Formula

C12H20O2

SMILES

CC(=O)OC1C2(C)CCC(C2)C1(C)C

Molecular Weight¹

196.29

• 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.
• I_p : Polar retention indices.
• T_boil : Normal Boiling Point Temperature (K).
• T_fus : Normal melting (fusion) point (K).
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Property	Value	Unit	Source
ΔfusH°	14.92	kJ/mol	Joback Calculated Property
logPoct/wat	2.764		Crippen Calculated Property
McVol	165.660	ml/mol	McGowan Calculated Property
Inp	[1214.00; 1233.00]
Inp	Outlier 1214.00		NIST
Inp	1232.00		NIST
Inp	1231.00		NIST
Inp	1233.00		NIST
Inp	1230.00		NIST
Inp	1230.00		NIST
Inp	1232.00		NIST
Ip	1480.00		NIST
Tboil	489.00	K	Relay (1.0) Calculated Property
Tfus	280.62	K	Relay (1.0) Calculated Property

Cheméo can also estimate 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	[221.28; 635.76]	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			-1.76320e+02
Coefficient B			1.91208e+00
Coefficient C			-1.88280e-03
Coefficient D			7.82800e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	221.28	J/mol×K	273.00	Calculated Property
Cp,gas	299.14	J/mol×K	353.78	Calculated Property
Cp,gas	363.28	J/mol×K	434.56	Calculated Property
Cp,gas	416.16	J/mol×K	515.33	Calculated Property
Cp,gas	460.26	J/mol×K	596.11	Calculated Property
Cp,gas	498.06	J/mol×K	676.89	Calculated Property
Cp,gas	532.04	J/mol×K	757.67	Calculated Property
Cp,gas	564.66	J/mol×K	838.44	Calculated Property
Cp,gas	598.41	J/mol×K	919.22	Calculated Property
Cp,gas	635.76	J/mol×K	1000.00	Calculated Property

Similar Compounds

Find more compounds similar to exo-Fenchyl acetate.

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.
Outlier This icon means that the value is more than 2 standard deviations away from the property mean.
Calculated This icon marks a calculated value or equation: a prediction, not a measurement.
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