Chemical Properties of (S)-3-Methyl-5-((1R,4aR,8aR)-5,5,8a-trimethyl-2-methylenedecahydronaphthalen-1-yl)pentanoic acid (CAS 20784-69-4)

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/h14,16-17H,2,6-13H2,1,3-5H3,(H,21,22)

InChI Key

NALGVVPRJHXHNM-UHFFFAOYSA-N

Formula

C20H34O2

SMILES

C=C1CCC2C(C)(C)CCCC2(C)C1CCC(C)CC(=O)O

Molecular Weight¹

306.48

CAS

20784-69-4

• 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°	-50.88	kJ/mol	Joback Calculated Property
ΔfH°gas	-531.22	kJ/mol	Joback Calculated Property
ΔfusH°	25.98	kJ/mol	Joback Calculated Property
ΔvapH°	80.90	kJ/mol	Joback Calculated Property
log10WS	-5.73		Crippen Calculated Property
logPoct/wat	5.676		Crippen Calculated Property
McVol	274.080	ml/mol	McGowan Calculated Property
Pc	1511.67	kPa	Joback Calculated Property
Inp	[2297.40; 2297.40]
Inp	2297.40		NIST
Inp	2297.40		NIST
Tboil	823.47	K	Joback Calculated Property
Tc	1030.30	K	Joback Calculated Property
Tfus	485.71	K	Joback Calculated Property
Vc	1.034	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[910.64; 1042.00]	J/mol×K	[823.47; 1030.30]
Cp,gas	910.64	J/mol×K	823.47	Joback Calculated Property
Cp,gas	932.42	J/mol×K	857.94	Joback Calculated Property
Cp,gas	953.98	J/mol×K	892.41	Joback Calculated Property
Cp,gas	975.52	J/mol×K	926.89	Joback Calculated Property
Cp,gas	997.23	J/mol×K	961.36	Joback Calculated Property
Cp,gas	1019.33	J/mol×K	995.83	Joback Calculated Property
Cp,gas	1042.00	J/mol×K	1030.30	Joback Calculated Property

Similar Compounds

Find more compounds similar to (S)-3-Methyl-5-((1R,4aR,8aR)-5,5,8a-trimethyl-2-methylenedecahydronaphthalen-1-yl)pentanoic acid.

Sources

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

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