Chemical Properties of Bicyclo[2.2.1]heptan-2-one, 1,7,7-trimethyl-3-(phenylmethylene)- (CAS 15087-24-8)

InChI

InChI=1S/C17H20O/c1-16(2)14-9-10-17(16,3)15(18)13(14)11-12-7-5-4-6-8-12/h4-8,11,14H,9-10H2,1-3H3/b13-11-

InChI Key

OIQXFRANQVWXJF-QBFSEMIESA-N

Formula

C17H20O

SMILES

CC12CCC(C(=Cc3ccccc3)C1=O)C2(C)C

Molecular Weight¹

240.34

CAS

15087-24-8

Other Names

• 2-Bornanone, 3-benzylidene-
• Benzylidenecamphor
• 1,7,7-Trimethylbicyclo[2.2.1]heptan-2-one-3-benzylidene
• 3-Benzylidene-2-bornanone
• 3-Benzylidenecamphor
• 1,7,7-trimethyl-3-(phenylmethylene)bicyclo[2.2.1]heptan-2-one
• (Z)-3-Benzylidene-1,7,7-trimethylbicyclo[2.2.1]heptan-2-one

• 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.
• 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	0.4176		Relay (... Calculated Property
ΔfG°	218.25	kJ/mol	Joback Calculated Property
ΔfH°gas	-37.69	kJ/mol	Relay (... Calculated Property
ΔfusH°	16.30	kJ/mol	Joback Calculated Property
ΔvapH°	80.74	kJ/mol	Relay (... Calculated Property
IE	8.36	eV	Relay (... Calculated Property
log10WS	-4.29		Relay (... Calculated Property
logPoct/wat	4.095		Crippen Calculated Property
McVol	202.180	ml/mol	McGowan Calculated Property
Pc	2239.76	kPa	Joback Calculated Property
Inp	[1944.70; 1944.70]
Inp	1944.70		NIST
Inp	1944.70		NIST
Tboil	589.23	K	Relay (... Calculated Property
Tc	867.72	K	Relay (... Calculated Property
Tfus	408.15	K	Relay (... Calculated Property
Vc	0.700	m3/kmol	Relay (... Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[582.30; 703.69]	J/mol×K	[703.06; 958.55]
Cp,gas	582.30	J/mol×K	703.06	Joback Calculated Property
Cp,gas	602.86	J/mol×K	745.64	Joback Calculated Property
Cp,gas	622.77	J/mol×K	788.22	Joback Calculated Property
Cp,gas	642.41	J/mol×K	830.81	Joback Calculated Property
Cp,gas	662.19	J/mol×K	873.39	Joback Calculated Property
Cp,gas	682.49	J/mol×K	915.97	Joback Calculated Property
Cp,gas	703.69	J/mol×K	958.55	Joback Calculated Property

Similar Compounds

Find more compounds similar to Bicyclo[2.2.1]heptan-2-one, 1,7,7-trimethyl-3-(phenylmethylene)-.

Sources

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

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