Chemical Properties of 6-Oxobornyl acetate

InChI

InChI=1S/C12H18O3/c1-7(13)15-10-6-8-5-9(14)12(10,4)11(8,2)3/h8,10H,5-6H2,1-4H3/t8?,10-,12?/m0/s1

InChI Key

QJQUXQNTQQVERR-BSTRBVHOSA-N

Formula

C12H18O3

SMILES

CC(=O)OC1CC2CC(=O)C1(C)C2(C)C

Molecular Weight¹

210.27

• 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	0.4447		Relay (1.0) Calculated Property
ΔfG°	-223.35	kJ/mol	Joback Calculated Property
ΔfH°gas	-602.20	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	12.85	kJ/mol	Joback Calculated Property
ΔvapH°	69.90	kJ/mol	Relay (1.0) Calculated Property
IE	8.97	eV	Relay (1.0) Calculated Property
log10WS	-2.28		Relay (1.0) Calculated Property
logPoct/wat	1.943		Crippen Calculated Property
McVol	167.230	ml/mol	McGowan Calculated Property
Pc	2550.76	kPa	Joback Calculated Property
Inp	[1423.00; 1423.00]
Inp	1423.00		NIST
Inp	1423.00		NIST
Tboil	511.03	K	Relay (1.0) Calculated Property
Tc	761.79	K	Relay (1.0) Calculated Property
Tfus	415.72	K	Relay (1.0) Calculated Property
Vc	0.580	m3/kmol	Relay (1.0) Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[471.05; 569.77]	J/mol×K	[626.96; 855.74]
Cp,gas	471.05	J/mol×K	626.96	Joback Calculated Property
Cp,gas	488.81	J/mol×K	665.09	Joback Calculated Property
Cp,gas	505.75	J/mol×K	703.22	Joback Calculated Property
Cp,gas	522.09	J/mol×K	741.35	Joback Calculated Property
Cp,gas	538.07	J/mol×K	779.48	Joback Calculated Property
Cp,gas	553.88	J/mol×K	817.61	Joback Calculated Property
Cp,gas	569.77	J/mol×K	855.74	Joback Calculated Property

Similar Compounds

Find more compounds similar to 6-Oxobornyl acetate.

Sources

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

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