Chemical Properties of 6-(1-Hydroxymethylvinyl)-4,8a-dimethyl-3,5,6,7,8,8a-hexahydro-1H-naphthalen-2-one

InChI

InChI=1S/C15H22O2/c1-10-6-13(17)8-15(3)5-4-12(7-14(10)15)11(2)9-16/h12,16H,2,4-9H2,1,3H3

InChI Key

ZQMDPUQDUUCMDK-UHFFFAOYSA-N

Formula

C15H22O2

SMILES

C=C(CO)C1CCC2(C)CC(=O)CC(C)=C2C1

Molecular Weight¹

234.33

• 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	0.5981		Relay (1.0) Calculated Property
ΔfG°	-26.39	kJ/mol	Joback Calculated Property
ΔfH°gas	-313.48	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	17.63	kJ/mol	Joback Calculated Property
ΔvapH°	94.21	kJ/mol	Relay (1.0) Calculated Property
IE	8.31	eV	Relay (1.0) Calculated Property
log10WS	-2.34		Relay (1.0) Calculated Property
logPoct/wat	3.021		Crippen Calculated Property
McVol	199.330	ml/mol	McGowan Calculated Property
Pc	2327.03	kPa	Joback Calculated Property
Inp	[1909.00; 1909.00]
Inp	1909.00		NIST
Inp	1909.00		NIST
Tboil	600.86	K	Relay (1.0) Calculated Property
Tc	839.53	K	Relay (1.0) Calculated Property
Tfus	382.90	K	Relay (1.0) Calculated Property
Vc	0.654	m3/kmol	Relay (1.0) Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[604.38; 701.94]	J/mol×K	[739.08; 959.07]
Cp,gas	604.38	J/mol×K	739.08	Joback Calculated Property
Cp,gas	622.11	J/mol×K	775.74	Joback Calculated Property
Cp,gas	639.08	J/mol×K	812.41	Joback Calculated Property
Cp,gas	655.43	J/mol×K	849.07	Joback Calculated Property
Cp,gas	671.28	J/mol×K	885.74	Joback Calculated Property
Cp,gas	686.74	J/mol×K	922.40	Joback Calculated Property
Cp,gas	701.94	J/mol×K	959.07	Joback Calculated Property

Similar Compounds

Find more compounds similar to 6-(1-Hydroxymethylvinyl)-4,8a-dimethyl-3,5,6,7,8,8a-hexahydro-1H-naphthalen-2-one.

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.