Chemical Properties of 1-Naphthalenepentanoic acid, 1,4,4a,5,6,7,8,8a-octahydro-«beta»,2,5,5,8a-pentamethyl- (CAS 468-82-6)

InChI

InChI=1S/C20H34O2/c1-14(13-18(21)22)7-9-16-15(2)8-10-17-19(3,4)11-6-12-20(16,17)5/h8,14,16-17H,6-7,9-13H2,1-5H3,(H,21,22)

InChI Key

FEENGIUGOPKQTF-UHFFFAOYSA-N

Formula

C20H34O2

SMILES

CC1=CCC2C(C)(C)CCCC2(C)C1CCC(C)CC(=O)O

Molecular Weight¹

306.48

CAS

468-82-6

Other Names

• Labd-7-en-15-oic acid
• Catavic acid
• Cativic acid

• 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	0.7355		Relay (1.0) Calculated Property
ΔfG°	-83.63	kJ/mol	Joback Calculated Property
ΔfH°gas	-633.68	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	27.97	kJ/mol	Joback Calculated Property
ΔvapH°	119.27	kJ/mol	Relay (1.0) Calculated Property
IE	8.53	eV	Relay (1.0) Calculated Property
log10WS	-4.92		Relay (1.0) Calculated Property
logPoct/wat	5.676		Crippen Calculated Property
McVol	274.080	ml/mol	McGowan Calculated Property
Pc	1514.03	kPa	Joback Calculated Property
Inp	[2334.70; 2334.70]
Inp	2334.70		NIST
Inp	2334.70		NIST
Tboil	620.92	K	Relay (1.0) Calculated Property
Tc	867.47	K	Relay (1.0) Calculated Property
Tfus	384.16	K	Relay (1.0) Calculated Property
Vc	0.925	m3/kmol	Relay (1.0) Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[911.37; 1043.60]	J/mol×K	[828.45; 1036.19]
Cp,gas	911.37	J/mol×K	828.45	Joback Calculated Property
Cp,gas	933.16	J/mol×K	863.07	Joback Calculated Property
Cp,gas	954.78	J/mol×K	897.70	Joback Calculated Property
Cp,gas	976.42	J/mol×K	932.32	Joback Calculated Property
Cp,gas	998.30	J/mol×K	966.94	Joback Calculated Property
Cp,gas	1020.63	J/mol×K	1001.57	Joback Calculated Property
Cp,gas	1043.60	J/mol×K	1036.19	Joback Calculated Property

Similar Compounds

Find more compounds similar to 1-Naphthalenepentanoic acid, 1,4,4a,5,6,7,8,8a-octahydro-«beta»,2,5,5,8a-pentamethyl-.

Sources

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

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