Chemical Properties of (1R,4R,4aS,8aR)-4,7-Dimethyl-1-(prop-1-en-2-yl)-1,2,3,4,4a,5,6,8a-octahydronaphthalene (CAS 92692-39-2)

InChI

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

InChI Key

HMTAHNDPLDKYJT-UHFFFAOYSA-N

Formula

C15H24

SMILES

C=C(C)C1CCC(C)C2CCC(C)=CC12

Molecular Weight¹

204.35

CAS

92692-39-2

• 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	0.3194		Relay (... Calculated Property
ΔfG°	232.72	kJ/mol	Joback Calculated Property
ΔfH°gas	-31.40	kJ/mol	Relay (... Calculated Property
ΔfusH°	22.86	kJ/mol	Joback Calculated Property
ΔvapH°	63.03	kJ/mol	Relay (... Calculated Property
IE	8.41	eV	Relay (... Calculated Property
log10WS	-5.63		Relay (... Calculated Property
logPoct/wat	4.581		Crippen Calculated Property
McVol	191.890	ml/mol	McGowan Calculated Property
Pc	1896.95	kPa	Joback Calculated Property
Inp	[1455.70; 1461.00]
Inp	1455.70		NIST
Inp	1458.00		NIST
Inp	1461.00		NIST
Tboil	540.02	K	Relay (... Calculated Property
Tc	736.72	K	Relay (... Calculated Property
Tfus	282.56	K	Relay (... Calculated Property
Vc	0.655	m3/kmol	Relay (... Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[501.34; 625.69]	J/mol×K	[564.52; 780.55]
Cp,gas	501.34	J/mol×K	564.52	Joback Calculated Property
Cp,gas	525.40	J/mol×K	600.53	Joback Calculated Property
Cp,gas	548.06	J/mol×K	636.53	Joback Calculated Property
Cp,gas	569.37	J/mol×K	672.54	Joback Calculated Property
Cp,gas	589.37	J/mol×K	708.54	Joback Calculated Property
Cp,gas	608.13	J/mol×K	744.55	Joback Calculated Property
Cp,gas	625.69	J/mol×K	780.55	Joback Calculated Property

Similar Compounds

Find more compounds similar to (1R,4R,4aS,8aR)-4,7-Dimethyl-1-(prop-1-en-2-yl)-1,2,3,4,4a,5,6,8a-octahydronaphthalene.

Sources

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

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