Chemical Properties of (1As-(1a«alpha»,4b«beta»,8as)-4a,8,8-trimethyloctahydrocyclopropa(d)naphthalen-2(3H)-one (CAS 82262-79-1)

InChI

InChI=1S/C14H22O/c1-12(2)6-4-7-13(3)8-5-11(15)10-9-14(10,12)13/h10H,4-9H2,1-3H3

InChI Key

OZVBAFBRWKCCHV-UHFFFAOYSA-N

Formula

C14H22O

SMILES

CC1(C)CCCC2(C)CCC(=O)C3CC312

Molecular Weight¹

206.32

CAS

82262-79-1

Other Names

• (1aS,4aR,8aR)-4a,8,8-Trimethyloctahydrocyclopropa[d]naphthalen-2(3H)-one

• 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	0.3793		Relay (... Calculated Property
ΔfG°	78.28	kJ/mol	Joback Calculated Property
ΔfH°gas	-184.34	kJ/mol	Relay (... Calculated Property
ΔfusH°	3.91	kJ/mol	Joback Calculated Property
ΔvapH°	67.22	kJ/mol	Relay (... Calculated Property
IE	8.80	eV	Relay (... Calculated Property
log10WS	-3.12		Relay (... Calculated Property
logPoct/wat	3.572		Crippen Calculated Property
McVol	177.110	ml/mol	McGowan Calculated Property
Pc	2537.93	kPa	Joback Calculated Property
Inp	[1723.10; 1723.10]
Inp	1723.10		NIST
Inp	1723.10		NIST
Tboil	537.66	K	Relay (... Calculated Property
Tc	805.68	K	Relay (... Calculated Property
Tfus	431.32	K	Relay (... Calculated Property
Vc	0.594	m3/kmol	Relay (... Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[507.56; 631.63]	J/mol×K	[612.35; 862.61]
Cp,gas	507.56	J/mol×K	612.35	Joback Calculated Property
Cp,gas	529.66	J/mol×K	654.06	Joback Calculated Property
Cp,gas	550.53	J/mol×K	695.77	Joback Calculated Property
Cp,gas	570.66	J/mol×K	737.48	Joback Calculated Property
Cp,gas	590.55	J/mol×K	779.19	Joback Calculated Property
Cp,gas	610.71	J/mol×K	820.90	Joback Calculated Property
Cp,gas	631.63	J/mol×K	862.61	Joback Calculated Property

Similar Compounds

Find more compounds similar to (1As-(1a«alpha»,4b«beta»,8as)-4a,8,8-trimethyloctahydrocyclopropa(d)naphthalen-2(3H)-one.

Sources

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

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