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

• 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	0.7400		Relay (1.0) Calculated Property
ΔfG°	-50.88	kJ/mol	Joback Calculated Property
ΔfH°gas	-636.15	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	25.98	kJ/mol	Joback Calculated Property
ΔvapH°	118.49	kJ/mol	Relay (1.0) Calculated Property
IE	8.93	eV	Relay (1.0) Calculated Property
log10WS	-4.79		Relay (1.0) 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	634.55	K	Relay (1.0) Calculated Property
Tc	872.28	K	Relay (1.0) Calculated Property
Tfus	382.15	K	Relay (1.0) Calculated Property
Vc	0.918	m3/kmol	Relay (1.0) 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

• 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.