Chemical Properties of (E)-3-Methyl-5-((1R,4aR,8aR)-5,5,8a-trimethyl-2-methylenedecahydronaphthalen-1-yl)pent-2-enoic acid (CAS 20257-75-4)

InChI

InChI=1S/C20H32O2/c1-14(13-18(21)22)7-9-16-15(2)8-10-17-19(3,4)11-6-12-20(16,17)5/h13,16-17H,2,6-12H2,1,3-5H3,(H,21,22)/b14-13+/t16-,17-,20-/m1/s1

InChI Key

JFQBNOIJWROZGE-VBRACAIISA-N

Formula

C20H32O2

SMILES

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

Molecular Weight¹

304.47

CAS

20257-75-4

Other Names

• Copalic acid
• (-)-Copalic 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	0.7208		Relay (1.0) Calculated Property
ΔfG°	23.23	kJ/mol	Joback Calculated Property
ΔfH°gas	-549.79	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	28.39	kJ/mol	Joback Calculated Property
ΔvapH°	111.86	kJ/mol	Relay (1.0) Calculated Property
IE	8.94	eV	Relay (1.0) Calculated Property
log10WS	-4.98		Relay (1.0) Calculated Property
logPoct/wat	5.596		Crippen Calculated Property
McVol	269.780	ml/mol	McGowan Calculated Property
Pc	1570.96	kPa	Joback Calculated Property
Inp	[2380.00; 2380.00]
Inp	2380.00		NIST
Inp	2380.00		NIST
Tboil	641.16	K	Relay (1.0) Calculated Property
Tc	881.46	K	Relay (1.0) Calculated Property
Tfus	385.75	K	Relay (1.0) Calculated Property
Vc	0.889	m3/kmol	Relay (1.0) Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[884.27; 1016.94]	J/mol×K	[827.95; 1039.75]
Cp,gas	884.27	J/mol×K	827.95	Joback Calculated Property
Cp,gas	905.84	J/mol×K	863.25	Joback Calculated Property
Cp,gas	927.32	J/mol×K	898.55	Joback Calculated Property
Cp,gas	948.95	J/mol×K	933.85	Joback Calculated Property
Cp,gas	970.94	J/mol×K	969.15	Joback Calculated Property
Cp,gas	993.53	J/mol×K	1004.45	Joback Calculated Property
Cp,gas	1016.94	J/mol×K	1039.75	Joback Calculated Property

Similar Compounds

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

Sources

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

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