Chemical Properties of Cyclopropa[d]naphthalen-2(4aH)-one, 1,1a,5,6,7,8-hexahydro-4a,8,8-trimethyl-, [1aR-(1a«alpha»,4a«beta»,8aS*)]- (CAS 4677-90-1)

InChI

InChI=1S/C14H20O/c1-12(2)6-4-7-13(3)8-5-11(15)10-9-14(10,12)13/h5,8,10H,4,6-7,9H2,1-3H3

InChI Key

MPIBOQKDJNGGSK-UHFFFAOYSA-N

Formula

C14H20O

SMILES

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

Molecular Weight¹

204.31

CAS

4677-90-1

Other Names

• Cyclopropa[d]naphthalen-2(4aH)-one, 1,1a,5,6,7,8-hexahydro-4a,8,8-trimethyl-, (1aR,4aS,8aS)-(+)-
• Mayuron
• Mayurone

• 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 : 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	0.3500		Relay (... Calculated Property
ΔfG°	108.24	kJ/mol	Joback Calculated Property
ΔfH°gas	-145.44	kJ/mol	Relay (... Calculated Property
ΔfusH°	5.13	kJ/mol	Joback Calculated Property
ΔvapH°	74.55	kJ/mol	Relay (... Calculated Property
IE	8.96	eV	Relay (... Calculated Property
log10WS	-3.26		Relay (... Calculated Property
logPoct/wat	3.348		Crippen Calculated Property
McVol	172.810	ml/mol	McGowan Calculated Property
Pc	2632.55	kPa	Joback Calculated Property
I	[1992.00; 1992.00]
I	1992.00		NIST
I	1992.00		NIST
Tboil	531.91	K	Relay (... Calculated Property
Tc	802.15	K	Relay (... Calculated Property
Tfus	425.66	K	Relay (... Calculated Property
Vc	0.577	m3/kmol	Relay (... Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[486.35; 604.10]	J/mol×K	[611.51; 864.31]
Cp,gas	486.35	J/mol×K	611.51	Joback Calculated Property
Cp,gas	507.23	J/mol×K	653.64	Joback Calculated Property
Cp,gas	526.92	J/mol×K	695.78	Joback Calculated Property
Cp,gas	545.93	J/mol×K	737.91	Joback Calculated Property
Cp,gas	564.79	J/mol×K	780.05	Joback Calculated Property
Cp,gas	584.01	J/mol×K	822.18	Joback Calculated Property
Cp,gas	604.10	J/mol×K	864.31	Joback Calculated Property

Similar Compounds

Find more compounds similar to Cyclopropa[d]naphthalen-2(4aH)-one, 1,1a,5,6,7,8-hexahydro-4a,8,8-trimethyl-, [1aR-(1a«alpha»,4a«beta»,8aS*)]-.

Sources

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

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