Chemical Properties of D-Verbenone (CAS 18309-32-5)

InChI

InChI=1S/C10H14O/c1-6-4-9(11)8-5-7(6)10(8,2)3/h4,7-8H,5H2,1-3H3/t7-,8+/m0/s1

InChI Key

DCSCXTJOXBUFGB-JGVFFNPUSA-N

Formula

C10H14O

SMILES

CC1=CC(=O)C2CC1C2(C)C

Molecular Weight¹

150.22

CAS

18309-32-5

Other Names

• (+)-Verbenone
• (-)-verbenone
• (1R)-4,6,6-trimethylbicyclo[3.1.1]hept-3-en-2-one
• (1R-cis)-4,6,6-Trimethylbicyclo(3.1.1)hept-3-en-2-one
• (1R-cis)-4,6,6-Trimethylbicyclo(3.1.1)hept-3-ene-2-one
• (1S)-(-)-verbenone
• (1S,5S)-4,6,6-trimethyl-bicyclo[3.1.1]hept-3-en-2-one
• (R)-(+)-Verbenone
• 2-Pinen-4-one, (1R,5R)-(+)-
• 4,6,6-Trimethylbicyclo[3.1.1]hept-3-en-2-one, (1R,5R)-
• 4,6,6-Trimethylbicyclo[3.1.1]hept-3-en-2-one, (1R-cis)-
• Bicyclo[3.1.1]hept-3-en-2-one, 4,6,6-trimethyl-, (1R)-
• Bicyclo[3.1.1]hept-3-en-2-one, 4,6,6-trimethyl-, (1R-cis)-
• NSC 36846
• Verbenone
• Verbenone, (+)-
• Verbenone, (d)-
• Verbinone

• 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).
• Δ_vapH : Enthalpy of vaporization at a given temperature (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
ΔfG°	27.26	kJ/mol	Joback Calculated Property
ΔfH°gas	-206.78	kJ/mol	Joback Calculated Property
ΔfusH°	10.94	kJ/mol	Joback Calculated Property
ΔvapH°	41.59	kJ/mol	Joback Calculated Property
IE	9.83	eV	NIST
log10WS	-2.21		Crippen Calculated Property
logPoct/wat	2.178		Crippen Calculated Property
McVol	127.310	ml/mol	McGowan Calculated Property
Pc	3002.44	kPa	Joback Calculated Property
Inp	[1170.00; 1228.00]
Inp	1228.00		NIST
Inp	1170.00		NIST
Inp	1170.00		NIST
Inp	1228.00		NIST
Tboil	500.70	K	NIST
Tc	740.08	K	Joback Calculated Property
Tfus	335.98	K	Joback Calculated Property
Vc	0.491	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[307.39; 393.70]	J/mol×K	[513.48; 740.08]
Cp,gas	307.39	J/mol×K	513.48	Joback Calculated Property
Cp,gas	324.08	J/mol×K	551.25	Joback Calculated Property
Cp,gas	339.67	J/mol×K	589.01	Joback Calculated Property
Cp,gas	354.29	J/mol×K	626.78	Joback Calculated Property
Cp,gas	368.08	J/mol×K	664.55	Joback Calculated Property
Cp,gas	381.17	J/mol×K	702.31	Joback Calculated Property
Cp,gas	393.70	J/mol×K	740.08	Joback Calculated Property
ΔvapH	58.90	kJ/mol	298.15	Thermod...

Similar Compounds

Find more compounds similar to D-Verbenone.

Sources

• Crippen Method
• Crippen Method
• Thermodynamic study of selected monoterpenes
• Joback Method
• McGowan Method
• NIST Webbook

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