Chemical Properties of 2H-Cyclopropa[a]naphthalen-2-one, 1,1a,4,5,6,7,7a,7b-octahydro-1,1,7,7a-tetramethyl-, (1a«alpha»,7«alpha»,7a«alpha»,7b«alpha»)- (CAS 6831-17-0)

InChI

InChI=1S/C15H22O/c1-9-6-5-7-10-8-11(16)12-13(14(12,2)3)15(9,10)4/h8-9,12-13H,5-7H2,1-4H3/t9-,12?,13?,15+/m0/s1

InChI Key

UGVIZCBJCSXBCJ-PUZVGVIGSA-N

Formula

C15H22O

SMILES

CC1CCCC2=CC(=O)C3C(C3(C)C)C21C

Molecular Weight¹

218.33

CAS

6831-17-0

Other Names

• 2H-Cyclopropa[a]naphthalen-2-one, 1,1a«beta»,4,5,6,7,7a,7b«beta»-octahydro-1,1,7«beta»,7a«beta»-tetramethyl-
• Aristolone

• 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.
• 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	0.3844		Relay (... Calculated Property
ΔfG°	104.81	kJ/mol	Joback Calculated Property
ΔfH°gas	-218.17	kJ/mol	Relay (... Calculated Property
ΔfusH°	14.70	kJ/mol	Joback Calculated Property
ΔvapH°	78.27	kJ/mol	Relay (... Calculated Property
IE	8.83	eV	Relay (... Calculated Property
log10WS	-4.05		Relay (... Calculated Property
logPoct/wat	3.594		Crippen Calculated Property
McVol	186.900	ml/mol	McGowan Calculated Property
Pc	2187.68	kPa	Joback Calculated Property
Inp	[1723.00; 1787.00]
Inp	1762.00		NIST
Inp	1775.90		NIST
Inp	1787.00		NIST
Inp	1762.00		NIST
Inp	1772.00		NIST
Inp	1752.00		NIST
Inp	1763.00		NIST
Inp	Outlier 1723.00		NIST
Inp	1745.00		NIST
Inp	1757.00		NIST
Inp	1758.00		NIST
Inp	1763.00		NIST
Inp	1763.00		NIST
Inp	1746.00		NIST
Inp	1746.00		NIST
Inp	1775.90		NIST
I	[2284.00; 2287.00]
I	2284.00		NIST
I	2287.00		NIST
I	2284.00		NIST
Tboil	550.17	K	Relay (... Calculated Property
Tc	815.40	K	Relay (... Calculated Property
Tfus	397.86	K	Relay (... Calculated Property
Vc	0.645	m3/kmol	Relay (... Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[542.90; 662.89]	J/mol×K	[634.46; 873.09]
Cp,gas	542.90	J/mol×K	634.46	Joback Calculated Property
Cp,gas	564.64	J/mol×K	674.23	Joback Calculated Property
Cp,gas	585.28	J/mol×K	714.00	Joback Calculated Property
Cp,gas	605.11	J/mol×K	753.77	Joback Calculated Property
Cp,gas	624.46	J/mol×K	793.54	Joback Calculated Property
Cp,gas	643.61	J/mol×K	833.32	Joback Calculated Property
Cp,gas	662.89	J/mol×K	873.09	Joback Calculated Property

Similar Compounds

Find more compounds similar to 2H-Cyclopropa[a]naphthalen-2-one, 1,1a,4,5,6,7,7a,7b-octahydro-1,1,7,7a-tetramethyl-, (1a«alpha»,7«alpha»,7a«alpha»,7b«alpha»)-.

Sources

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

Note: Cheméo is only indexing the data, follow the source links to retrieve the latest data. The source is also providing more information like the publication year, authors and more. Take the time to validate and double check the source of the data.
Outlier This icon means that the value is more than 2 standard deviations away from the property mean.