Chemical Properties of 1,4-Methanonaphthalene, 1,4-dihydro- (CAS 4453-90-1)

InChI

InChI=1S/C11H10/c1-2-4-11-9-6-5-8(7-9)10(11)3-1/h1-6,8-9H,7H2

InChI Key

IEGYXSAHRKJELM-UHFFFAOYSA-N

Formula

C11H10

SMILES

C1=CC2CC1c1ccccc12

Molecular Weight¹

142.20

CAS

4453-90-1

Other Names

• Benzonorbornadiene
• 1,4-Dihydro-1,4-methanonaphthalene

• C_p,gas : Ideal gas heat capacity (J/mol×K).
• η : Dynamic viscosity (Pa×s).
• Δ_fH°_gas : Enthalpy of formation at standard conditions (kJ/mol).
• 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
ΔfH°gas	271.64	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	17.49	kJ/mol	Joback Calculated Property
IE	[8.30; 8.34]	eV
IE	8.34	eV	NIST
IE	8.34 ± 0.05	eV	NIST
IE	8.32 ± 0.05	eV	NIST
IE	8.34	eV	NIST
IE	8.30 ± 0.05	eV	NIST
logPoct/wat	2.827		Crippen Calculated Property
McVol	116.070	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 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	[135.66; 391.66]	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			-1.14300e+02
Coefficient B			1.16580e+00
Coefficient C			-1.01284e-03
Coefficient D			3.53000e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	135.66	J/mol×K	273.00	Calculated Property
Cp,gas	187.00	J/mol×K	353.78	Calculated Property
Cp,gas	230.01	J/mol×K	434.56	Calculated Property
Cp,gas	265.81	J/mol×K	515.33	Calculated Property
Cp,gas	295.51	J/mol×K	596.11	Calculated Property
Cp,gas	320.23	J/mol×K	676.89	Calculated Property
Cp,gas	341.09	J/mol×K	757.67	Calculated Property
Cp,gas	359.21	J/mol×K	838.44	Calculated Property
Cp,gas	375.69	J/mol×K	919.22	Calculated Property
Cp,gas	391.66	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0009385; 0.0009554]	Pa×s	[292.83; 506.00]	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			-6.92876e+00
Coefficient B			-1.24500e+01
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.			292.83
Temperature range, max.			506.00
η	0.0009385	Pa×s	292.83	Calculated Property
η	0.0009414	Pa×s	316.52	Calculated Property
η	0.0009440	Pa×s	340.20	Calculated Property
η	0.0009463	Pa×s	363.89	Calculated Property
η	0.0009483	Pa×s	387.57	Calculated Property
η	0.0009500	Pa×s	411.26	Calculated Property
η	0.0009516	Pa×s	434.94	Calculated Property
η	0.0009530	Pa×s	458.63	Calculated Property
η	0.0009543	Pa×s	482.31	Calculated Property
η	0.0009554	Pa×s	506.00	Calculated Property

Similar Compounds

Find more compounds similar to 1,4-Methanonaphthalene, 1,4-dihydro-.

Sources

• Cheméo Relay (1.0)
• 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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