Chemical Properties of 2(3H)-Naphthalenone, 4,4a,5,6,7,8-hexahydro-4a,5-dimethyl-3-(1-methylethylidene)-, (4ar-cis)- (CAS 19598-45-9)

InChI

InChI=1S/C15H22O/c1-10(2)13-9-15(4)11(3)6-5-7-12(15)8-14(13)16/h8,11H,5-7,9H2,1-4H3/t11-,15+/m1/s1

InChI Key

DZOKWSREAZGFFC-ABAIWWIYSA-N

Formula

C15H22O

SMILES

CC(C)=C1CC2(C)C(=CC1=O)CCCC2C

Molecular Weight¹

218.33

CAS

19598-45-9

Other Names

• (4aR,5S)-4a,5-Dimethyl-3-(propan-2-ylidene)-4,4a,5,6,7,8-hexahydronaphthalen-2(3H)-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.
• 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
ΔfG°	77.68	kJ/mol	Joback Calculated Property
ΔfH°gas	-241.88	kJ/mol	Joback Calculated Property
ΔfusH°	15.53	kJ/mol	Joback Calculated Property
ΔvapH°	54.42	kJ/mol	Joback Calculated Property
log10WS	-4.39		Crippen Calculated Property
logPoct/wat	4.048		Crippen Calculated Property
McVol	193.460	ml/mol	McGowan Calculated Property
Pc	2137.41	kPa	Joback Calculated Property
Inp	[1813.00; 1820.30]
Inp	1820.30		NIST
Inp	1813.00		NIST
I	[2404.00; 2404.00]
I	2404.00		NIST
I	2404.00		NIST
Tboil	651.88	K	Joback Calculated Property
Tc	891.67	K	Joback Calculated Property
Tfus	382.41	K	Joback Calculated Property
Vc	0.733	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[539.30; 652.93]	J/mol×K	[651.88; 891.67]
Cp,gas	539.30	J/mol×K	651.88	Joback Calculated Property
Cp,gas	560.66	J/mol×K	691.85	Joback Calculated Property
Cp,gas	580.83	J/mol×K	731.81	Joback Calculated Property
Cp,gas	599.99	J/mol×K	771.78	Joback Calculated Property
Cp,gas	618.29	J/mol×K	811.74	Joback Calculated Property
Cp,gas	635.88	J/mol×K	851.71	Joback Calculated Property
Cp,gas	652.93	J/mol×K	891.67	Joback Calculated Property

Similar Compounds

Find more compounds similar to 2(3H)-Naphthalenone, 4,4a,5,6,7,8-hexahydro-4a,5-dimethyl-3-(1-methylethylidene)-, (4ar-cis)-.

Sources

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

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