Chemical Properties of Tricyclo[4.2.1.02,5]nona-3,7-diene,(1«alpha»,2«beta»,5«beta»,6«alpha»)- (CAS 15564-44-0)

InChI

InChI=1S/C9H10/c1-2-7-5-6(1)8-3-4-9(7)8/h1-4,6-9H,5H2/t6-,7+,8+,9-

InChI Key

KXHIYQZTTRKYGP-OJOKCITNSA-N

Formula

C9H10

SMILES

C1=CC2CC1C1C=CC21

Molecular Weight¹

118.18

CAS

15564-44-0

• 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).
• T_boil : Normal Boiling Point Temperature (K).
• T_fus : Normal melting (fusion) point (K).
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Cheméo can also estimate 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	[115.39; 366.92]	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			-1.34520e+02
Coefficient B			1.17300e+00
Coefficient C			-1.04556e-03
Coefficient D			3.74000e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	115.39	J/mol×K	273.00	Calculated Property
Cp,gas	166.16	J/mol×K	353.78	Calculated Property
Cp,gas	208.46	J/mol×K	434.56	Calculated Property
Cp,gas	243.48	J/mol×K	515.33	Calculated Property
Cp,gas	272.40	J/mol×K	596.11	Calculated Property
Cp,gas	296.41	J/mol×K	676.89	Calculated Property
Cp,gas	316.68	J/mol×K	757.67	Calculated Property
Cp,gas	334.40	J/mol×K	838.44	Calculated Property
Cp,gas	350.75	J/mol×K	919.22	Calculated Property
Cp,gas	366.92	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0002133; 0.0010013]	Pa×s	[242.29; 442.13]	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			-5.03180e+00
Coefficient B			-8.28850e+02
Coefficient C			0.00000e+00
Coefficient D			0.00000e+00
Coefficient E			0.00000e+00
Temperature range, min.			242.29
Temperature range, max.			442.13
η	0.0002133	Pa×s	242.29	Calculated Property
η	0.0002843	Pa×s	264.49	Calculated Property
η	0.0003624	Pa×s	286.70	Calculated Property
η	0.0004461	Pa×s	308.90	Calculated Property
η	0.0005340	Pa×s	331.11	Calculated Property
η	0.0006250	Pa×s	353.31	Calculated Property
η	0.0007180	Pa×s	375.51	Calculated Property
η	0.0008122	Pa×s	397.72	Calculated Property
η	0.0009068	Pa×s	419.92	Calculated Property
η	0.0010013	Pa×s	442.13	Calculated Property

Similar Compounds

Find more compounds similar to Tricyclo[4.2.1.02,5]nona-3,7-diene,(1«alpha»,2«beta»,5«beta»,6«alpha»)-.

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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