Chemical Properties of 1,4:5,8-Dimethanonaphthalene, 1,4,5,8-tetrahydro-, (1«alpha»,4«alpha»,5«beta»,8«beta»)- (CAS 97806-44-5)

InChI

InChI=1S/C12H12/c1-2-8-5-7(1)11-9-3-4-10(6-9)12(8)11/h1-4,7-10H,5-6H2/t7-,8-,9+,10?/m1/s1

InChI Key

KWPLEXGYQPSPLP-HNJRMYHASA-N

Formula

C12H12

SMILES

C1=CC2CC1C1=C2C2C=CC1C2

Molecular Weight¹

156.22

CAS

97806-44-5

• 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°	22.26	kJ/mol	Joback Calculated Property
IE	[7.30; 7.65]	eV
IE	7.30	eV	NIST
IE	7.65	eV	NIST
logPoct/wat	2.695		Crippen Calculated Property
McVol	123.600	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	[151.95; 457.39]	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			-1.57050e+02
Coefficient B			1.46040e+00
Coefficient C			-1.33756e-03
Coefficient D			4.91600e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	151.95	J/mol×K	273.00	Calculated Property
Cp,gas	213.97	J/mol×K	353.78	Calculated Property
Cp,gas	265.33	J/mol×K	434.56	Calculated Property
Cp,gas	307.61	J/mol×K	515.33	Calculated Property
Cp,gas	342.35	J/mol×K	596.11	Calculated Property
Cp,gas	371.10	J/mol×K	676.89	Calculated Property
Cp,gas	395.43	J/mol×K	757.67	Calculated Property
Cp,gas	416.88	J/mol×K	838.44	Calculated Property
Cp,gas	437.02	J/mol×K	919.22	Calculated Property
Cp,gas	457.39	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0010575; 0.0033547]	Pa×s	[324.08; 513.93]	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			-3.72668e+00
Coefficient B			-1.01280e+03
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.			324.08
Temperature range, max.			513.93
η	0.0010575	Pa×s	324.08	Calculated Property
η	0.0012801	Pa×s	345.17	Calculated Property
η	0.0015157	Pa×s	366.27	Calculated Property
η	0.0017620	Pa×s	387.36	Calculated Property
η	0.0020168	Pa×s	408.46	Calculated Property
η	0.0022779	Pa×s	429.55	Calculated Property
η	0.0025437	Pa×s	450.64	Calculated Property
η	0.0028126	Pa×s	471.74	Calculated Property
η	0.0030833	Pa×s	492.83	Calculated Property
η	0.0033547	Pa×s	513.93	Calculated Property

Similar Compounds

Find more compounds similar to 1,4:5,8-Dimethanonaphthalene, 1,4,5,8-tetrahydro-, (1«alpha»,4«alpha»,5«beta»,8«beta»)-.

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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