Chemical Properties of [3aS-[3a«alpha»,3b«beta»,4«beta»,7«alpha»7aS*]]-Octahydro-7-methyl-3-methylene-4-[1-methylethyl]1Hcyclopenta[1,3]cyclopropa[1,2]-benzene

InChI

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

InChI Key

GWHIZFIUHSNQKU-UHFFFAOYSA-N

Formula

C15H24

SMILES

C=C1CC23CC(C)CC(C1C(C)C)C2C3

Molecular Weight¹

204.35

• 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	0.3503		Relay (... Calculated Property
ΔfG°	275.30	kJ/mol	Joback Calculated Property
ΔfH°gas	-53.45	kJ/mol	Relay (... Calculated Property
ΔfusH°	18.07	kJ/mol	Joback Calculated Property
ΔvapH°	58.60	kJ/mol	Relay (... Calculated Property
IE	8.65	eV	Relay (... Calculated Property
log10WS	-5.80		Relay (... Calculated Property
logPoct/wat	4.271		Crippen Calculated Property
McVol	185.330	ml/mol	McGowan Calculated Property
Pc	1998.33	kPa	Joback Calculated Property
Inp	[1477.40; 1491.70]
Inp	1477.40		NIST
Inp	1486.00		NIST
Inp	1491.70		NIST
Inp	1477.40		NIST
Tboil	518.03	K	Relay (... Calculated Property
Tc	744.71	K	Relay (... Calculated Property
Tfus	288.63	K	Relay (... Calculated Property
Vc	0.663	m3/kmol	Relay (... Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[501.63; 619.46]	J/mol×K	[556.71; 769.30]
Cp,gas	501.63	J/mol×K	556.71	Joback Calculated Property
Cp,gas	524.39	J/mol×K	592.14	Joback Calculated Property
Cp,gas	545.67	J/mol×K	627.57	Joback Calculated Property
Cp,gas	565.65	J/mol×K	663.00	Joback Calculated Property
Cp,gas	584.49	J/mol×K	698.44	Joback Calculated Property
Cp,gas	602.37	J/mol×K	733.87	Joback Calculated Property
Cp,gas	619.46	J/mol×K	769.30	Joback Calculated Property

Similar Compounds

Find more compounds similar to [3aS-[3a«alpha»,3b«beta»,4«beta»,7«alpha»7aS*]]-Octahydro-7-methyl-3-methylene-4-[1-methylethyl]1Hcyclopenta[1,3]cyclopropa[1,2]-benzene.

Sources

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

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