Chemical Properties of 1,4:5,8-Dimethanonaphthalen-2(1H)-one, 3,4,4a,5,8,8a-hexahydro-, (1α,4α,4aβ,5β,8β,8aβ)- (CAS 33163-94-9)

InChI

InChI=1S/C12H14O/c13-10-5-8-4-9(10)12-7-2-1-6(3-7)11(8)12/h1-2,6-9,11-12H,3-5H2

InChI Key

AWDQKLULSIAWOR-UHFFFAOYSA-N

Formula

C12H14O

SMILES

O=C1CC2CC1C1C3C=CC(C3)C21

Molecular Weight¹

174.24

CAS

33163-94-9

Other Names

• 1,4:5,8-Dimethanonaphthalen-2(1H)-one, 3,4,4a,5,8,8a-hexahydro-, (1«alpha»,4«alpha»,4a«beta»,5«beta»,8«beta»,8a«beta»)-

• 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).
• 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°	185.11	kJ/mol	Joback Calculated Property
ΔfH°gas	-120.41	kJ/mol	Joback Calculated Property
ΔfusH°	22.25	kJ/mol	Joback Calculated Property
ΔvapH°	45.88	kJ/mol	Joback Calculated Property
IE	[8.40; 8.74]	eV
IE	8.40	eV	NIST
IE	8.74	eV	NIST
log10WS	-2.11		Crippen Calculated Property
logPoct/wat	2.034		Crippen Calculated Property
McVol	133.770	ml/mol	McGowan Calculated Property
Pc	2937.70	kPa	Joback Calculated Property
Tboil	558.56	K	Joback Calculated Property
Tc	792.38	K	Joback Calculated Property
Tfus	357.26	K	Joback Calculated Property
Vc	0.526	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[375.22; 475.67]	J/mol×K	[558.56; 792.38]
Cp,gas	375.22	J/mol×K	558.56	Joback Calculated Property
Cp,gas	395.26	J/mol×K	597.53	Joback Calculated Property
Cp,gas	413.80	J/mol×K	636.50	Joback Calculated Property
Cp,gas	430.99	J/mol×K	675.47	Joback Calculated Property
Cp,gas	446.94	J/mol×K	714.44	Joback Calculated Property
Cp,gas	461.79	J/mol×K	753.41	Joback Calculated Property
Cp,gas	475.67	J/mol×K	792.38	Joback Calculated Property

Similar Compounds

Find more compounds similar to 1,4:5,8-Dimethanonaphthalen-2(1H)-one, 3,4,4a,5,8,8a-hexahydro-, (1α,4α,4aβ,5β,8β,8aβ)-.

Sources

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

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