Chemical Properties of 1,4:5,8-Dimethano-4a,8a-(methanoxymethano)naphthalene-9,11-dione, octahydro-(1α,4α,4aβ,5β,8α,8aβ) (CAS 73679-39-7)

InChI

InChI=1S/C12H16/c1-2-8-5-7(1)11-9-3-4-10(6-9)12(8)11/h7-10H,1-6H2

InChI Key

WNOQFKCATWEQFU-UHFFFAOYSA-N

Formula

C12H16

SMILES

C1CC2CC1C1=C2C2CCC1C2

Molecular Weight¹

160.26

CAS

73679-39-7

Other Names

• 1,4:5,8-Dimethanonaphthalene-, 1,2,3,4,5,6,7,8-octahydro-(1α,4α,5β,8β)
• 1,4:5,8-Dimethano-4a,8a-(methanoxymethano)naphthalene-9,11-dione, octahydro-(1«alpha»,4«alpha»,4a«beta»,5«beta»,8«alpha»,8a«beta»)

• C_p,gas : Ideal gas heat capacity (J/mol×K).
• η : Dynamic viscosity (Pa×s).
• Δ_fusH° : Enthalpy of fusion at standard conditions (kJ/mol).
• IE : Ionization energy (eV).
• logP_oct/wat : Octanol/Water partition coefficient.
• McVol : McGowan's characteristic volume (ml/mol).
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Property	Value	Unit	Source
ΔfusH°	19.82	kJ/mol	Joback Calculated Property
IE	[7.90; 7.90]	eV
IE	7.90	eV	NIST
IE	7.90 ± 0.02	eV	NIST
logPoct/wat	3.143		Crippen Calculated Property
McVol	132.200	ml/mol	McGowan Calculated Property

Cheméo can also estimate Normal Boiling Point Temperature, Normal melting (fusion) point, Critical Temperature, Critical Pressure, Critical Volume, Enthalpy of formation at standard conditions, Enthalpy of vaporization at standard conditions, Standard Gibbs free energy of formation, Acentric Factor, Log10 of Water solubility in mol/l for this compound, but they fall outside the models' validated range, so they are not shown here. Open the prediction tool to compute them on demand.

Correlations

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[164.90; 519.99]	J/mol×K	[273.00; 1000.00]	Joback Predicted correlation
Equation			Y = A + B·T + C·T² + D·T³ + E·T⁴ Y is Cp,gas in J/mol×K, T in K
Coefficient A			-1.72610e+02
Coefficient B			1.57240e+00
Coefficient C			-1.36300e-03
Coefficient D			4.83200e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	164.90	J/mol×K	273.00	Calculated Property
Cp,gas	234.47	J/mol×K	353.78	Calculated Property
Cp,gas	292.95	J/mol×K	434.56	Calculated Property
Cp,gas	341.86	J/mol×K	515.33	Calculated Property
Cp,gas	382.73	J/mol×K	596.11	Calculated Property
Cp,gas	417.09	J/mol×K	676.89	Calculated Property
Cp,gas	446.47	J/mol×K	757.67	Calculated Property
Cp,gas	472.39	J/mol×K	838.44	Calculated Property
Cp,gas	496.39	J/mol×K	919.22	Calculated Property
Cp,gas	519.99	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0013184; 0.0033812]	Pa×s	[322.56; 511.91]	Joback Predicted correlation
Equation			Y = exp(A + B/T + C·ln(T) + D·T^E) Y is η in Pa×s, T in K
Coefficient A			-4.08520e+00
Coefficient B			-8.21280e+02
Coefficient C			0.00000e+00
Coefficient D			0.00000e+00
Coefficient E			0.00000e+00
Comment			Liquid phase. Joback/Reid (1987), valid from Tf to 0.7·Tc.
Temperature range, min.			322.56
Temperature range, max.			511.91
η	0.0013184	Pa×s	322.56	Calculated Property
η	0.0015408	Pa×s	343.60	Calculated Property
η	0.0017687	Pa×s	364.64	Calculated Property
η	0.0019999	Pa×s	385.68	Calculated Property
η	0.0022328	Pa×s	406.72	Calculated Property
η	0.0024660	Pa×s	427.76	Calculated Property
η	0.0026982	Pa×s	448.80	Calculated Property
η	0.0029286	Pa×s	469.83	Calculated Property
η	0.0031565	Pa×s	490.87	Calculated Property
η	0.0033812	Pa×s	511.91	Calculated Property

Similar Compounds

Find more compounds similar to 1,4:5,8-Dimethano-4a,8a-(methanoxymethano)naphthalene-9,11-dione, octahydro-(1α,4α,4aβ,5β,8α,8aβ).

Sources

• Cheméo Relay (1.0, beta) Beta: served but experimental, data-limited and below our cross-validation release bar; the Joback value is recommended where available.
• Crippen Method
• Crippen Method
• Joback Method
• McGowan Method
• NIST Webbook

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