Chemical Properties of (1aS,4aS,8aR)-4a,8,8-Trimethyl-2-methylene-1,1a,2,4a,5,6,7,8-octahydrocyclopropa[d]naphthalene (CAS 51446-91-4)

InChI

InChI=1S/C15H22/c1-11-6-9-14(4)8-5-7-13(2,3)15(14)10-12(11)15/h6,9,12H,1,5,7-8,10H2,2-4H3

InChI Key

XOPQCMQCJQEISN-UHFFFAOYSA-N

Formula

C15H22

SMILES

C=C1C=CC2(C)CCCC(C)(C)C23CC13

Molecular Weight¹

202.34

CAS

51446-91-4

• 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).
• 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
ΔfG°	292.33	kJ/mol	Joback Calculated Property
ΔfH°gas	20.55	kJ/mol	Joback Calculated Property
ΔfusH°	7.05	kJ/mol	Joback Calculated Property
ΔvapH°	45.76	kJ/mol	Joback Calculated Property
log10WS	-4.53		Crippen Calculated Property
logPoct/wat	4.335		Crippen Calculated Property
McVol	181.030	ml/mol	McGowan Calculated Property
Pc	2354.20	kPa	Joback Calculated Property
Inp	[1471.70; 1471.70]
Inp	1471.70		NIST
Inp	1471.70		NIST
Tboil	565.73	K	Joback Calculated Property
Tc	801.71	K	Joback Calculated Property
Tfus	387.49	K	Joback Calculated Property
Vc	0.694	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[480.56; 593.40]	J/mol×K	[565.73; 801.71]
Cp,gas	480.56	J/mol×K	565.73	Joback Calculated Property
Cp,gas	501.99	J/mol×K	605.06	Joback Calculated Property
Cp,gas	521.76	J/mol×K	644.39	Joback Calculated Property
Cp,gas	540.33	J/mol×K	683.72	Joback Calculated Property
Cp,gas	558.16	J/mol×K	723.05	Joback Calculated Property
Cp,gas	575.70	J/mol×K	762.38	Joback Calculated Property
Cp,gas	593.40	J/mol×K	801.71	Joback Calculated Property

Similar Compounds

Find more compounds similar to (1aS,4aS,8aR)-4a,8,8-Trimethyl-2-methylene-1,1a,2,4a,5,6,7,8-octahydrocyclopropa[d]naphthalene.

Sources

• Crippen Method
• Crippen Method
• Joback Method
• McGowan Method
• NIST Webbook

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