Chemical Properties of 4-(3-Hydroxy-3-methylpent-4-enyl)-4a,8,8-trimethyl-3-methylidene-5,6,7,8a-tetrahydro-4H-naphthalen-1-one (Laricsone)

InChI

InChI=1S/C21H34O2/c1-7-20(5,23)12-8-10-16-15(2)14-17(22)18-19(3,4)11-9-13-21(16,18)6/h7,16,18,23H,1-2,8-14H2,3-6H3/t16?,18?,20-,21+/m1/s1

InChI Key

VVFDQSZUGZLXAK-KPZFLHEBSA-N

Formula

C21H34O2

SMILES

C=CC(C)(O)CCCC1C(=C)CC(=O)C2C(C)(C)CCCC12C

Molecular Weight¹

318.49

• 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°	56.99	kJ/mol	Joback Calculated Property
ΔfH°gas	-455.02	kJ/mol	Joback Calculated Property
ΔfusH°	21.31	kJ/mol	Joback Calculated Property
ΔvapH°	79.05	kJ/mol	Joback Calculated Property
log10WS	-5.80		Crippen Calculated Property
logPoct/wat	5.072		Crippen Calculated Property
McVol	283.870	ml/mol	McGowan Calculated Property
Pc	1431.55	kPa	Joback Calculated Property
Inp	[2189.00; 2189.00]
Inp	2189.00		NIST
Inp	2189.00		NIST
Tboil	854.19	K	Joback Calculated Property
Tc	1070.58	K	Joback Calculated Property
Tfus	530.93	K	Joback Calculated Property
Vc	1.067	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[962.65; 1103.94]	J/mol×K	[854.19; 1070.58]
Cp,gas	962.65	J/mol×K	854.19	Joback Calculated Property
Cp,gas	985.70	J/mol×K	890.26	Joback Calculated Property
Cp,gas	1008.65	J/mol×K	926.32	Joback Calculated Property
Cp,gas	1031.72	J/mol×K	962.39	Joback Calculated Property
Cp,gas	1055.14	J/mol×K	998.45	Joback Calculated Property
Cp,gas	1079.13	J/mol×K	1034.52	Joback Calculated Property
Cp,gas	1103.94	J/mol×K	1070.58	Joback Calculated Property

Similar Compounds

Find more compounds similar to 4-(3-Hydroxy-3-methylpent-4-enyl)-4a,8,8-trimethyl-3-methylidene-5,6,7,8a-tetrahydro-4H-naphthalen-1-one (Laricsone).

Sources

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

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