Chemical Properties of Pentanoic acid, 1,7,7-trimethylbicyclo[2.2.1]hept-2-yl ester, endo- (CAS 7549-41-9)

InChI

InChI=1S/C15H26O2/c1-5-6-7-13(16)17-12-10-11-8-9-15(12,4)14(11,2)3/h11-12H,5-10H2,1-4H3

InChI Key

ILUAVCBOWYHFAI-UHFFFAOYSA-N

Formula

C15H26O2

SMILES

CCCCC(=O)OC1CC2CCC1(C)C2(C)C

Molecular Weight¹

238.37

CAS

7549-41-9

Other Names

• Bornyl ester of n-pentanoic acid
• Valeric acid, 2-bornyl ester, endo-
• Bornyl valerate
• «alpha»-Terpinyl ester of n-pentanoic acid
• Bornyl pentanoate
• endo-1,7,7-trimethylbicyclo[2.2.1]hept-2-yl valerate

• 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).
• log₁₀WS : Log10 of Water solubility in mol/l.
• logP_oct/wat : Octanol/Water partition coefficient.
• McVol : McGowan's characteristic volume (ml/mol).
• 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

Cheméo can also estimate Critical Temperature, Critical Pressure, Critical Volume, Enthalpy of formation at standard conditions, Standard Gibbs free energy of formation, Acentric Factor, Ionization energy 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	[284.92; 790.53]	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			-1.79047e+02
Coefficient B			2.19708e+00
Coefficient C			-2.04600e-03
Coefficient D			8.18500e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	284.92	J/mol×K	273.00	Calculated Property
Cp,gas	378.40	J/mol×K	353.78	Calculated Property
Cp,gas	456.51	J/mol×K	434.56	Calculated Property
Cp,gas	521.85	J/mol×K	515.33	Calculated Property
Cp,gas	576.99	J/mol×K	596.11	Calculated Property
Cp,gas	624.54	J/mol×K	676.89	Calculated Property
Cp,gas	667.09	J/mol×K	757.67	Calculated Property
Cp,gas	707.20	J/mol×K	838.44	Calculated Property
Cp,gas	747.49	J/mol×K	919.22	Calculated Property
Cp,gas	790.53	J/mol×K	1000.00	Calculated Property

Similar Compounds

Find more compounds similar to Pentanoic acid, 1,7,7-trimethylbicyclo[2.2.1]hept-2-yl ester, endo-.

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

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Calculated This icon marks a calculated value or equation: a prediction, not a measurement.
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