Chemical Properties of 1,4:5,8-Dimethanonaphthalen-9-ol, 1,4,4a,5,6,7,8,8a-octahydro-, stereoisomer

InChI

InChI=1S/C12H16O/c13-12-8-3-4-9(12)11-7-2-1-6(5-7)10(8)11/h1-2,6-13H,3-5H2

InChI Key

NGFZLQIRULRVPV-UHFFFAOYSA-N

Formula

C12H16O

SMILES

OC1C2CCC1C1C3C=CC(C3)C21

Molecular Weight¹

176.26

Other Names

• 1,4:5,8-Dimethanonaphthalen-9-ol, 1,4,4a,5,6,7,8,8a-octahydro-, anti-endo,exo-
• Tetracyclo[6.2.1.1(3,6).0(2,7)]dodec-4-ene-11-ol, stereoisomer

• 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).
• Δ_vapH° : Enthalpy of vaporization 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	-106.24	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	27.90	kJ/mol	Joback Calculated Property
ΔvapH°	81.61	kJ/mol	Relay (1.0) Calculated Property
IE	[8.30; 9.01]	eV
IE	8.30	eV	NIST
IE	9.01	eV	NIST
logPoct/wat	1.825		Crippen Calculated Property
McVol	138.070	ml/mol	McGowan Calculated Property

Cheméo can also estimate Normal Boiling Point Temperature, Normal melting (fusion) point, Critical Temperature, Critical Pressure, Critical Volume, 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	[179.10; 564.72]	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			-1.78100e+02
Coefficient B			1.64590e+00
Coefficient C			-1.36128e-03
Coefficient D			4.58200e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	179.10	J/mol×K	273.00	Calculated Property
Cp,gas	254.10	J/mol×K	353.78	Calculated Property
Cp,gas	317.67	J/mol×K	434.56	Calculated Property
Cp,gas	371.28	J/mol×K	515.33	Calculated Property
Cp,gas	416.37	J/mol×K	596.11	Calculated Property
Cp,gas	454.39	J/mol×K	676.89	Calculated Property
Cp,gas	486.78	J/mol×K	757.67	Calculated Property
Cp,gas	515.00	J/mol×K	838.44	Calculated Property
Cp,gas	540.50	J/mol×K	919.22	Calculated Property
Cp,gas	564.72	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0045974; 0.0034937]	Pa×s	[345.62; 546.96]	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			-6.12805e+00
Coefficient B			2.57760e+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.			345.62
Temperature range, max.			546.96
η	0.0045974	Pa×s	345.62	Calculated Property
η	0.0043937	Pa×s	367.99	Calculated Property
η	0.0042208	Pa×s	390.36	Calculated Property
η	0.0040724	Pa×s	412.73	Calculated Property
η	0.0039437	Pa×s	435.11	Calculated Property
η	0.0038311	Pa×s	457.48	Calculated Property
η	0.0037318	Pa×s	479.85	Calculated Property
η	0.0036435	Pa×s	502.22	Calculated Property
η	0.0035646	Pa×s	524.59	Calculated Property
η	0.0034937	Pa×s	546.96	Calculated Property

Similar Compounds

Find more compounds similar to 1,4:5,8-Dimethanonaphthalen-9-ol, 1,4,4a,5,6,7,8,8a-octahydro-, stereoisomer.

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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