Chemical Properties of endo-1-bourbonanone

InChI

InChI=1S/C14H22O/c1-8(2)9-6-7-14(3)10-4-5-11(15)12(10)13(9)14/h8-10,12-13H,4-7H2,1-3H3/t9-,10+,12+,13?,14-/m1/s1

InChI Key

PYUWACLOPFTHBV-YHVDDPLKSA-N

Formula

C14H22O

SMILES

CC(C)C1CCC2(C)C3CCC(=O)C3C12

Molecular Weight¹

206.32

Other Names

• endo-1-Norbourbonanone

• 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	0.4176		Relay (... Calculated Property
ΔfG°	91.21	kJ/mol	Joback Calculated Property
ΔfH°gas	-224.84	kJ/mol	Relay (... Calculated Property
ΔfusH°	16.15	kJ/mol	Joback Calculated Property
ΔvapH°	71.05	kJ/mol	Relay (... Calculated Property
IE	8.85	eV	Relay (... Calculated Property
log10WS	-4.39		Relay (... Calculated Property
logPoct/wat	3.284		Crippen Calculated Property
McVol	177.110	ml/mol	McGowan Calculated Property
Pc	2214.53	kPa	Joback Calculated Property
Inp	[1564.00; 1564.00]
Inp	1564.00		NIST
Inp	1564.00		NIST
Tboil	529.74	K	Relay (... Calculated Property
Tc	801.30	K	Relay (... Calculated Property
Tfus	346.16	K	Relay (... Calculated Property
Vc	0.619	m3/kmol	Relay (... Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[511.78; 628.85]	J/mol×K	[602.49; 830.61]
Cp,gas	511.78	J/mol×K	602.49	Joback Calculated Property
Cp,gas	534.11	J/mol×K	640.51	Joback Calculated Property
Cp,gas	555.07	J/mol×K	678.53	Joback Calculated Property
Cp,gas	574.84	J/mol×K	716.55	Joback Calculated Property
Cp,gas	593.60	J/mol×K	754.57	Joback Calculated Property
Cp,gas	611.55	J/mol×K	792.59	Joback Calculated Property
Cp,gas	628.85	J/mol×K	830.61	Joback Calculated Property

Similar Compounds

Find more compounds similar to endo-1-bourbonanone.

Sources

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

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