Chemical Properties of Birkenal

InChI

InChI=1S/C14H22O/c1-10-7-14(4,9-15)6-5-12-11(10)8-13(12,2)3/h9,11-12H,1,5-8H2,2-4H3/t11-,12-,14+/m0/s1

InChI Key

KHGAHZYLXXABTK-SGMGOOAPSA-N

Formula

C14H22O

SMILES

C=C1CC(C)(C=O)CCC2C1CC2(C)C

Molecular Weight¹

206.32

• 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 : 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°	79.36	kJ/mol	Joback Calculated Property
ΔfH°gas	-216.71	kJ/mol	Joback Calculated Property
ΔfusH°	12.66	kJ/mol	Joback Calculated Property
ΔvapH°	51.06	kJ/mol	Joback Calculated Property
log10WS	-3.64		Crippen Calculated Property
logPoct/wat	3.594		Crippen Calculated Property
McVol	183.670	ml/mol	McGowan Calculated Property
Pc	2246.13	kPa	Joback Calculated Property
I	[1823.00; 1823.00]
I	1823.00		NIST
I	1823.00		NIST
I	1823.00		NIST
Tboil	584.97	K	Joback Calculated Property
Tc	807.47	K	Joback Calculated Property
Tfus	367.86	K	Joback Calculated Property
Vc	0.705	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[493.28; 602.43]	J/mol×K	[584.97; 807.47]
Cp,gas	493.28	J/mol×K	584.97	Joback Calculated Property
Cp,gas	513.79	J/mol×K	622.05	Joback Calculated Property
Cp,gas	533.06	J/mol×K	659.14	Joback Calculated Property
Cp,gas	551.32	J/mol×K	696.22	Joback Calculated Property
Cp,gas	568.81	J/mol×K	733.30	Joback Calculated Property
Cp,gas	585.77	J/mol×K	770.38	Joback Calculated Property
Cp,gas	602.43	J/mol×K	807.47	Joback Calculated Property

Similar Compounds

Find more compounds similar to Birkenal.

Sources

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

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