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

• ω : Acentric Factor.
• 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).
• IE : Ionization energy (eV).
• 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
ω	0.5277		Relay (1.0) Calculated Property
ΔfG°	53.75	kJ/mol	Joback Calculated Property
ΔfH°gas	-316.77	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	20.33	kJ/mol	Joback Calculated Property
ΔvapH°	87.48	kJ/mol	Relay (1.0) Calculated Property
IE	8.91	eV	Relay (1.0) Calculated Property
log10WS	-4.42		Relay (1.0) 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	585.22	K	Relay (1.0) Calculated Property
Tc	858.67	K	Relay (1.0) Calculated Property
Tfus	407.49	K	Relay (1.0) Calculated Property
Vc	0.757	m3/kmol	Relay (1.0) 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

• Cheméo Relay (1.0)
• 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.