Chemical Properties of Norbourbonone (CAS 13844-03-6)

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

InChI Key

PYUWACLOPFTHBV-UHFFFAOYSA-N

Formula

C14H22O

SMILES

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

Molecular Weight¹

206.32

CAS

13844-03-6

Other Names

• 1-nor-Bourbonanone
• Bourbonanone <1-nor

• 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.
• I : 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°	91.21	kJ/mol	Joback Calculated Property
ΔfH°gas	-288.47	kJ/mol	Joback Calculated Property
ΔfusH°	16.15	kJ/mol	Joback Calculated Property
ΔvapH°	48.76	kJ/mol	Joback Calculated Property
log10WS	-3.20		Crippen 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	[1540.00; 1599.00]
Inp	1568.00		NIST
Inp	1558.00		NIST
Inp	1571.40		NIST
Inp	Outlier 1599.00		NIST
Inp	1548.00		NIST
Inp	1560.00		NIST
Inp	1540.00		NIST
Inp	1563.00		NIST
Inp	1563.00		NIST
Inp	1563.00		NIST
Inp	1571.40		NIST
Inp	1568.00		NIST
I	[2045.00; 2046.00]
I	2046.00		NIST
I	2046.00		NIST
I	2046.00		NIST
I	2046.00		NIST
I	2045.00		NIST
I	2045.00		NIST
Tboil	602.49	K	Joback Calculated Property
Tc	830.61	K	Joback Calculated Property
Tfus	366.48	K	Joback Calculated Property
Vc	0.679	m3/kmol	Joback 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 Norbourbonone.

Sources

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

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Outlier This icon means that the value is more than 2 standard deviations away from the property mean.