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_fG° : Standard Gibbs free energy of formation (kJ/mol).
• Δ_fH°_gas : Enthalpy of formation at standard conditions (kJ/mol).
• 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).
• P_c : Critical Pressure (kPa).
• I_np : Non-polar retention indices.
• T_boil : Normal Boiling Point Temperature (K).
• T_c : Critical Temperature (K).
• T_fus : Normal melting (fusion) point (K).
• V_c : Critical Volume (m³/kmol).
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Property	Value	Unit	Source
ΔfG°	-682.35	kJ/mol	Joback Calculated Property
ΔfH°gas	-1003.65	kJ/mol	Joback Calculated Property
ΔfusH°	15.17	kJ/mol	Joback Calculated Property
ΔvapH°	44.79	kJ/mol	Joback Calculated Property
log10WS	-3.55		Crippen Calculated Property
logPoct/wat	3.307		Crippen Calculated Property
McVol	170.970	ml/mol	McGowan Calculated Property
Pc	2202.08	kPa	Joback Calculated Property
Inp	[1124.00; 1129.00]
Inp	1124.00		NIST
Inp	1129.00		NIST
Inp	1124.00		NIST
Tboil	553.72	K	Joback Calculated Property
Tc	751.37	K	Joback Calculated Property
Tfus	373.03	K	Joback Calculated Property
Vc	0.674	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[465.32; 554.29]	J/mol×K	[553.72; 751.37]
Cp,gas	465.32	J/mol×K	553.72	Joback Calculated Property
Cp,gas	482.50	J/mol×K	586.66	Joback Calculated Property
Cp,gas	498.49	J/mol×K	619.60	Joback Calculated Property
Cp,gas	513.48	J/mol×K	652.55	Joback Calculated Property
Cp,gas	527.65	J/mol×K	685.49	Joback Calculated Property
Cp,gas	541.19	J/mol×K	718.43	Joback Calculated Property
Cp,gas	554.29	J/mol×K	751.37	Joback Calculated Property

Similar Compounds

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

Sources

• Crippen Method
• Crippen Method
• Joback Method
• McGowan Method
• NIST Webbook

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