Chemical Properties of 2H-2,4a-Methanonaphthalen-8(5H)-one, 1,3,4,6,7,8a-hexahydro-1,1,5,5-tetramethyl- (CAS 23787-90-8)

InChI

InChI=1S/C15H24O/c1-13(2)7-6-11(16)12-14(3,4)10-5-8-15(12,13)9-10/h10,12H,5-9H2,1-4H3

InChI Key

VCOCESNMLNDPLX-UHFFFAOYSA-N

Formula

C15H24O

SMILES

CC1(C)C2CCC3(C2)C1C(=O)CCC3(C)C

Molecular Weight¹

220.35

CAS

23787-90-8

Other Names

• 2H-2,4a-Methanonaphthalen-8(5H)-one, hexahydro-1,1,5,5-tetramethyl-
• trans-Isolongifolanone
• cis-Isolongifolanone
• Isolongifolanone, trans- (piconia)
• 1,3,4,6,7,8a-hexahydro-1,1,5,5-tetramethyl-2H-2,4a-methanonaphthalen-8(5H)-one

• 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°	78.99	kJ/mol	Joback Calculated Property
ΔfH°gas	-279.51	kJ/mol	Joback Calculated Property
ΔfusH°	7.57	kJ/mol	Joback Calculated Property
ΔvapH°	49.24	kJ/mol	Joback Calculated Property
log10WS	-3.86		Crippen Calculated Property
logPoct/wat	3.818		Crippen Calculated Property
McVol	191.200	ml/mol	McGowan Calculated Property
Pc	2237.64	kPa	Joback Calculated Property
Inp	[1592.00; 1627.00]
Inp	1606.00		NIST
Inp	1627.00		NIST
Inp	1611.00		NIST
Inp	1610.00		NIST
Inp	1616.00		NIST
Inp	1606.00		NIST
Inp	1620.00		NIST
Inp	1619.00		NIST
Inp	Outlier 1592.00		NIST
Inp	1613.00		NIST
Inp	1618.00		NIST
Inp	1613.00		NIST
Tboil	630.56	K	Joback Calculated Property
Tc	875.45	K	Joback Calculated Property
Tfus	437.03	K	Joback Calculated Property
Vc	0.730	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[561.94; 693.14]	J/mol×K	[630.56; 875.45]
Cp,gas	561.94	J/mol×K	630.56	Joback Calculated Property
Cp,gas	584.99	J/mol×K	671.37	Joback Calculated Property
Cp,gas	606.96	J/mol×K	712.19	Joback Calculated Property
Cp,gas	628.30	J/mol×K	753.00	Joback Calculated Property
Cp,gas	649.46	J/mol×K	793.82	Joback Calculated Property
Cp,gas	670.93	J/mol×K	834.63	Joback Calculated Property
Cp,gas	693.14	J/mol×K	875.45	Joback Calculated Property

Similar Compounds

Find more compounds similar to 2H-2,4a-Methanonaphthalen-8(5H)-one, 1,3,4,6,7,8a-hexahydro-1,1,5,5-tetramethyl-.

Sources

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

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Outlier This icon means that the value is more than 2 standard deviations away from the property mean.