Chemical Properties of (3R,4aS,8aS)-8a-Methyl-5-methylene-3-(prop-1-en-2-yl)-1,2,3,4,4a,5,6,8a-octahydronaphthalene (CAS 212394-95-1)

InChI

InChI=1S/C15H22/c1-11(2)13-7-9-15(4)8-5-6-12(3)14(15)10-13/h5,8,13-14H,1,3,6-7,9-10H2,2,4H3

InChI Key

VPGIVOTXWKFIRP-UHFFFAOYSA-N

Formula

C15H22

SMILES

C=C(C)C1CCC2(C)C=CCC(=C)C2C1

Molecular Weight¹

202.34

CAS

212394-95-1

• 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	0.2849		Relay (... Calculated Property
ΔfG°	297.65	kJ/mol	Joback Calculated Property
ΔfH°gas	61.60	kJ/mol	Relay (... Calculated Property
ΔfusH°	14.72	kJ/mol	Joback Calculated Property
ΔvapH°	63.59	kJ/mol	Relay (... Calculated Property
IE	8.52	eV	Relay (... Calculated Property
log10WS	-5.26		Relay (... Calculated Property
logPoct/wat	4.501		Crippen Calculated Property
McVol	187.590	ml/mol	McGowan Calculated Property
Pc	2096.50	kPa	Joback Calculated Property
Inp	[1477.30; 1477.30]
Inp	1477.30		NIST
Inp	1477.30		NIST
Tboil	539.65	K	Relay (... Calculated Property
Tc	734.49	K	Relay (... Calculated Property
Tfus	243.77	K	Relay (... Calculated Property
Vc	0.626	m3/kmol	Relay (... Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[478.45; 595.23]	J/mol×K	[563.61; 789.42]
Cp,gas	478.45	J/mol×K	563.61	Joback Calculated Property
Cp,gas	501.07	J/mol×K	601.24	Joback Calculated Property
Cp,gas	522.22	J/mol×K	638.88	Joback Calculated Property
Cp,gas	542.04	J/mol×K	676.51	Joback Calculated Property
Cp,gas	560.71	J/mol×K	714.15	Joback Calculated Property
Cp,gas	578.38	J/mol×K	751.78	Joback Calculated Property
Cp,gas	595.23	J/mol×K	789.42	Joback Calculated Property

Similar Compounds

Find more compounds similar to (3R,4aS,8aS)-8a-Methyl-5-methylene-3-(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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