Chemical Properties of bornyl benzoate

InChI

InChI=1S/C17H22O2/c1-16(2)13-9-10-17(16,3)14(11-13)19-15(18)12-7-5-4-6-8-12/h4-8,13-14H,9-11H2,1-3H3/t13-,14+,17+/m1/s1

InChI Key

FLOISDYCXINJOB-KEYYUXOJSA-N

Formula

C17H22O2

SMILES

CC1(C)C2CCC1(C)C(OC(=O)c1ccccc1)C2

Molecular Weight¹

258.36

• 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°	53.75	kJ/mol	Joback Calculated Property
ΔfH°gas	-273.24	kJ/mol	Joback Calculated Property
ΔfusH°	20.33	kJ/mol	Joback Calculated Property
ΔvapH°	61.95	kJ/mol	Joback Calculated Property
log10WS	-4.66		Crippen Calculated Property
logPoct/wat	4.058		Crippen Calculated Property
McVol	212.350	ml/mol	McGowan Calculated Property
Pc	2135.43	kPa	Joback Calculated Property
Inp	[1749.00; 1749.00]
Inp	1749.00		NIST
Inp	1749.00		NIST
Inp	1749.00		NIST
Tboil	700.22	K	Joback Calculated Property
Tc	939.44	K	Joback Calculated Property
Tfus	451.61	K	Joback Calculated Property
Vc	0.803	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[624.43; 742.50]	J/mol×K	[700.22; 939.44]
Cp,gas	624.43	J/mol×K	700.22	Joback Calculated Property
Cp,gas	644.92	J/mol×K	740.09	Joback Calculated Property
Cp,gas	664.64	J/mol×K	779.96	Joback Calculated Property
Cp,gas	683.94	J/mol×K	819.83	Joback Calculated Property
Cp,gas	703.13	J/mol×K	859.70	Joback Calculated Property
Cp,gas	722.54	J/mol×K	899.57	Joback Calculated Property
Cp,gas	742.50	J/mol×K	939.44	Joback Calculated Property

Similar Compounds

Find more compounds similar to bornyl benzoate.

Sources

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

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