Chemical Properties of Karahanaenone (CAS 19822-67-4)

InChI

InChI=1S/C10H16O/c1-8-4-5-9(11)10(2,3)7-6-8/h6H,4-5,7H2,1-3H3

InChI Key

SKKTZNHVYFHGDC-UHFFFAOYSA-N

Formula

C10H16O

SMILES

CC1=CCC(C)(C)C(=O)CC1

Molecular Weight¹

152.23

CAS

19822-67-4

Other Names

• 2,2,5-trimethyl-4-cyclohepten-1-one

• 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.
• 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°	-62.08	kJ/mol	Joback Calculated Property
ΔfH°gas	-277.72	kJ/mol	Joback Calculated Property
ΔfusH°	5.44	kJ/mol	Joback Calculated Property
ΔvapH°	42.51	kJ/mol	Joback Calculated Property
log10WS	-2.80		Crippen Calculated Property
logPoct/wat	2.712		Crippen Calculated Property
McVol	138.170	ml/mol	McGowan Calculated Property
Pc	2931.34	kPa	Joback Calculated Property
Inp	[1149.00; 1155.00]
Inp	1154.00		NIST
Inp	1149.00		NIST
Inp	1155.00		NIST
Inp	1155.00		NIST
Inp	1149.00		NIST
Inp	1154.00		NIST
Tboil	524.22	K	Joback Calculated Property
Tc	758.96	K	Joback Calculated Property
Tfus	311.72	K	Joback Calculated Property
Vc	0.511	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[321.26; 417.27]	J/mol×K	[524.22; 758.96]
Cp,gas	321.26	J/mol×K	524.22	Joback Calculated Property
Cp,gas	339.55	J/mol×K	563.34	Joback Calculated Property
Cp,gas	356.80	J/mol×K	602.47	Joback Calculated Property
Cp,gas	373.11	J/mol×K	641.59	Joback Calculated Property
Cp,gas	388.56	J/mol×K	680.71	Joback Calculated Property
Cp,gas	403.25	J/mol×K	719.83	Joback Calculated Property
Cp,gas	417.27	J/mol×K	758.96	Joback Calculated Property

Similar Compounds

Find more compounds similar to Karahanaenone.

Sources

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

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