Chemical Properties of Bicyclo[2.2.1]heptan-2-one, 7,7-dimethyl- (CAS 514-15-8)

InChI

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

InChI Key

DOCLMTQMWGMALI-UHFFFAOYSA-N

Formula

C9H14O

SMILES

CC1(C)C2CCC1C(=O)C2

Molecular Weight¹

138.21

CAS

514-15-8

Other Names

• «alpha»-Fenchocamphone

• 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°	-1.49	kJ/mol	Joback Calculated Property
ΔfH°gas	-232.45	kJ/mol	Joback Calculated Property
ΔfusH°	7.52	kJ/mol	Joback Calculated Property
ΔvapH°	38.41	kJ/mol	Joback Calculated Property
log10WS	-1.93		Crippen 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	[1103.00; 1103.00]
Inp	1103.00		NIST
Inp	1103.00		NIST
Tboil	486.46	K	Joback Calculated Property
Tc	713.39	K	Joback Calculated Property
Tfus	311.43	K	Joback Calculated Property
Vc	0.450	m3/kmol	Joback 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[2.2.1]heptan-2-one, 7,7-dimethyl-.

Sources

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

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