Chemical Properties of Bornyl propanoate (CAS 78548-53-5)

InChI

InChI=1S/C13H22O2/c1-5-11(14)15-10-8-9-6-7-13(10,4)12(9,2)3/h9-10H,5-8H2,1-4H3/t9-,10+,13+/m1/s1

InChI Key

FAFMZORPAAGQFV-NRUUGDAUSA-N

Formula

C13H22O2

SMILES

CCC(=O)OC1CC2CCC1(C)C2(C)C

Molecular Weight¹

210.31

CAS

78548-53-5

Other Names

• endo-1,7,7-trimethylbicyclo[2.2.1]hept-2-yl propionate
• Bornyl propionate

• 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 a given temperature (kJ/mol).
• log₁₀WS : Log10 of Water solubility in mol/l.
• logP_oct/wat : Octanol/Water partition coefficient.
• McVol : McGowan's characteristic volume (ml/mol).
• I_np : Non-polar retention indices.
• I : 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°	17.51	kJ/mol	Joback Calculated Property
log10WS	-3.16		Relay (1.0) Calculated Property
logPoct/wat	3.154		Crippen Calculated Property
McVol	179.750	ml/mol	McGowan Calculated Property
Inp	1362.00		NIST
I	[1641.00; 1641.00]
I	1641.00		NIST
I	1641.00		NIST
Tboil	505.04	K	Relay (1.0) Calculated Property
Tfus	345.52	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 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.

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[481.21; 584.15]	J/mol×K	[564.15; 773.85]
Cp,gas	481.21	J/mol×K	564.15	Joback Calculated Property
Cp,gas	500.80	J/mol×K	599.10	Joback Calculated Property
Cp,gas	519.14	J/mol×K	634.05	Joback Calculated Property
Cp,gas	536.44	J/mol×K	669.00	Joback Calculated Property
Cp,gas	552.91	J/mol×K	703.95	Joback Calculated Property
Cp,gas	568.74	J/mol×K	738.90	Joback Calculated Property
Cp,gas	584.15	J/mol×K	773.85	Joback Calculated Property
ΔvapH	55.90	kJ/mol	422.50	NIST

Similar Compounds

Find more compounds similar to Bornyl propanoate.

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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