Chemical Properties of Bornyl anthranilate

InChI

InChI=1S/C17H23NO2/c1-16(2)11-8-9-17(16,3)14(10-11)20-15(19)12-6-4-5-7-13(12)18/h4-7,11,14H,8-10,18H2,1-3H3

InChI Key

KOTJVSKKXGQEQQ-UHFFFAOYSA-N

Formula

C17H23NO2

SMILES

CC1(C)C2CCC1(C)C(OC(=O)c1ccccc1N)C2

Molecular Weight¹

273.37

• 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	0.6361		Relay (1.0) Calculated Property
ΔfG°	110.57	kJ/mol	Joback Calculated Property
ΔfH°gas	-344.28	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	25.14	kJ/mol	Joback Calculated Property
ΔvapH°	94.66	kJ/mol	Relay (1.0) Calculated Property
IE	7.84	eV	Relay (1.0) Calculated Property
log10WS	-4.35		Relay (1.0) Calculated Property
logPoct/wat	3.640		Crippen Calculated Property
McVol	222.330	ml/mol	McGowan Calculated Property
Pc	2220.80	kPa	Joback Calculated Property
Inp	[2192.60; 2192.60]
Inp	2192.60		NIST
Inp	2192.60		NIST
Tboil	622.12	K	Relay (1.0) Calculated Property
Tc	911.62	K	Relay (1.0) Calculated Property
Tfus	418.68	K	Relay (1.0) Calculated Property
Vc	0.782	m3/kmol	Relay (1.0) Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[693.97; 820.32]	J/mol×K	[777.73; 1022.41]
Cp,gas	693.97	J/mol×K	777.73	Joback Calculated Property
Cp,gas	714.27	J/mol×K	818.51	Joback Calculated Property
Cp,gas	734.42	J/mol×K	859.29	Joback Calculated Property
Cp,gas	754.75	J/mol×K	900.07	Joback Calculated Property
Cp,gas	775.61	J/mol×K	940.85	Joback Calculated Property
Cp,gas	797.36	J/mol×K	981.63	Joback Calculated Property
Cp,gas	820.32	J/mol×K	1022.41	Joback Calculated Property

Similar Compounds

Find more compounds similar to Bornyl anthranilate.

Sources

• Cheméo Relay (1.0)
• Crippen Method
• Crippen Method
• Joback Method
• McGowan Method
• NIST Webbook

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