Chemical Properties of Bicyclo[3.1.1]heptan-2-one, 6,6-dimethyl- (CAS 24903-95-5)

InChI

InChI=1S/C9H14O/c1-9(2)6-3-4-8(10)7(9)5-6/h6-7H,3-5H2,1-2H3

InChI Key

XZFDKWMYCUEKSS-UHFFFAOYSA-N

Formula

C9H14O

SMILES

CC1(C)C2CCC(=O)C1C2

Molecular Weight¹

138.21

CAS

24903-95-5

Other Names

• «beta»-Pinone
• Nopinon
• Nopinone
• 2-Norpinanone, 6,6-dimethyl-
• 6,6-Dimethylbicyclo(3.1.1)heptan-2-one
• nopinonee

• 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.
• 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
ω	0.3395		Relay (... Calculated Property
ΔfG°	-1.49	kJ/mol	Joback Calculated Property
ΔfH°gas	-185.10	kJ/mol	Relay (... Calculated Property
ΔfusH°	7.52	kJ/mol	Joback Calculated Property
ΔvapH°	51.29	kJ/mol	Relay (... Calculated Property
IE	9.05	eV	Relay (... Calculated Property
log10WS	-1.92		Relay (... Calculated Property
logPoct/wat	2.012		Crippen Calculated Property
McVol	117.520	ml/mol	McGowan Calculated Property
Pc	3265.31	kPa	Joback Calculated Property
Inp	[1087.00; 1145.00]
Inp	1138.00		NIST
Inp	1117.00		NIST
Inp	1138.00		NIST
Inp	1108.00		NIST
Inp	1108.00		NIST
Inp	1139.00		NIST
Inp	1129.00		NIST
Inp	1111.00		NIST
Inp	1131.00		NIST
Inp	1105.00		NIST
Inp	Outlier 1087.00		NIST
Inp	1110.00		NIST
Inp	1137.00		NIST
Inp	1102.00		NIST
Inp	1103.00		NIST
Inp	1135.00		NIST
Inp	1143.00		NIST
Inp	1136.00		NIST
Inp	1137.00		NIST
Inp	1133.00		NIST
Inp	1145.00		NIST
Inp	1120.00		NIST
Inp	1095.00		NIST
Inp	1135.00		NIST
Inp	1137.00		NIST
Inp	1133.00		NIST
Inp	1137.00		NIST
Inp	1137.00		NIST
Inp	1090.00		NIST
Inp	1139.00		NIST
Inp	1135.00		NIST
Inp	1136.00		NIST
Inp	1103.00		NIST
Inp	1137.00		NIST
Inp	1090.00		NIST
Inp	1137.00		NIST
Inp	1108.00		NIST
Inp	1131.00		NIST
Inp	1102.00		NIST
Inp	1138.00		NIST
I	[1545.00; 1601.00]
I	1577.00		NIST
I	1577.00		NIST
I	1562.00		NIST
I	1548.00		NIST
I	1565.00		NIST
I	1594.00		NIST
I	1556.00		NIST
I	1597.00		NIST
I	1601.00		NIST
I	1601.00		NIST
I	1545.00		NIST
I	1597.00		NIST
Tboil	474.78	K	Relay (... Calculated Property
Tc	734.97	K	Relay (... Calculated Property
Tfus	375.34	K	Relay (... Calculated Property
Vc	0.380	m3/kmol	Relay (... Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[278.51; 368.63]	J/mol×K	[486.46; 713.39]
Cp,gas	278.51	J/mol×K	486.46	Joback Calculated Property
Cp,gas	296.15	J/mol×K	524.28	Joback Calculated Property
Cp,gas	312.56	J/mol×K	562.10	Joback Calculated Property
Cp,gas	327.88	J/mol×K	599.93	Joback Calculated Property
Cp,gas	342.24	J/mol×K	637.75	Joback Calculated Property
Cp,gas	355.78	J/mol×K	675.57	Joback Calculated Property
Cp,gas	368.63	J/mol×K	713.39	Joback Calculated Property

Similar Compounds

Find more compounds similar to Bicyclo[3.1.1]heptan-2-one, 6,6-dimethyl-.

Sources

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

Note: Cheméo is only indexing the data, follow the source links to retrieve the latest data. The source is also providing more information like the publication year, authors and more. Take the time to validate and double check the source of the data.
Outlier This icon means that the value is more than 2 standard deviations away from the property mean.