Chemical Properties of Borneol, trifluoroacetate (ester) (CAS 28587-55-5)

InChI

InChI=1S/C12H17F3O2/c1-10(2)7-4-5-11(10,3)8(6-7)17-9(16)12(13,14)15/h7-8H,4-6H2,1-3H3

InChI Key

LINNXWGLYUPPJS-UHFFFAOYSA-N

Formula

C12H17F3O2

SMILES

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

Molecular Weight¹

250.26

CAS

28587-55-5

Other Names

• Borneol, trifluoroacetate

• C_p,gas : Ideal gas heat capacity (J/mol×K).
• Δ_fusH° : Enthalpy of fusion 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).
• I_np : Non-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°	16.75	kJ/mol	Joback Calculated Property
log10WS	-3.10		Relay (1.0) Calculated Property
logPoct/wat	3.307		Crippen Calculated Property
McVol	170.970	ml/mol	McGowan Calculated Property
Inp	[1124.00; 1129.00]
Inp	1124.00		NIST
Inp	1129.00		NIST
Inp	1124.00		NIST
Tboil	467.09	K	Relay (1.0) Calculated Property
Tfus	356.45	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	[458.45; 549.24]	J/mol×K	[535.85; 730.93]
Cp,gas	458.45	J/mol×K	535.85	Joback Calculated Property
Cp,gas	476.25	J/mol×K	568.36	Joback Calculated Property
Cp,gas	492.74	J/mol×K	600.88	Joback Calculated Property
Cp,gas	508.11	J/mol×K	633.39	Joback Calculated Property
Cp,gas	522.52	J/mol×K	665.90	Joback Calculated Property
Cp,gas	536.17	J/mol×K	698.41	Joback Calculated Property
Cp,gas	549.24	J/mol×K	730.93	Joback Calculated Property

Similar Compounds

Find more compounds similar to Borneol, trifluoroacetate (ester).

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.
These property values are available through the Cheméo API. A free account gives you an access key.