Chemical Properties of (4R,4aS,6S)-4,4a-Dimethyl-6-(prop-1-en-2-yl)-1,2,3,4,4a,5,6,7-octahydronaphthalene (CAS 823810-22-6)

InChI

InChI=1S/C15H24/c1-11(2)13-8-9-14-7-5-6-12(3)15(14,4)10-13/h9,12-13H,1,5-8,10H2,2-4H3

InChI Key

YONHOSLUBQJXPR-UHFFFAOYSA-N

Formula

C15H24

SMILES

C=C(C)C1CC=C2CCCC(C)C2(C)C1

Molecular Weight¹

204.35

CAS

823810-22-6

• 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	0.2989		Relay (... Calculated Property
ΔfG°	234.94	kJ/mol	Joback Calculated Property
ΔfH°gas	-62.64	kJ/mol	Relay (... Calculated Property
ΔfusH°	15.49	kJ/mol	Joback Calculated Property
ΔvapH°	62.21	kJ/mol	Relay (... Calculated Property
IE	8.22	eV	Relay (... Calculated Property
log10WS	-5.37		Relay (... Calculated Property
logPoct/wat	4.725		Crippen Calculated Property
McVol	191.890	ml/mol	McGowan Calculated Property
Pc	2032.72	kPa	Joback Calculated Property
Inp	[1475.90; 1475.90]
Inp	1475.90		NIST
Inp	1475.90		NIST
Tboil	543.69	K	Relay (... Calculated Property
Tc	745.79	K	Relay (... Calculated Property
Tfus	292.93	K	Relay (... Calculated Property
Vc	0.652	m3/kmol	Relay (... Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[499.65; 621.57]	J/mol×K	[569.43; 794.31]
Cp,gas	499.65	J/mol×K	569.43	Joback Calculated Property
Cp,gas	523.17	J/mol×K	606.91	Joback Calculated Property
Cp,gas	545.19	J/mol×K	644.39	Joback Calculated Property
Cp,gas	565.88	J/mol×K	681.87	Joback Calculated Property
Cp,gas	585.40	J/mol×K	719.35	Joback Calculated Property
Cp,gas	603.90	J/mol×K	756.83	Joback Calculated Property
Cp,gas	621.57	J/mol×K	794.31	Joback Calculated Property

Similar Compounds

Find more compounds similar to (4R,4aS,6S)-4,4a-Dimethyl-6-(prop-1-en-2-yl)-1,2,3,4,4a,5,6,7-octahydronaphthalene.

Sources

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

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