Chemical Properties of trans Bicyclo[6.1.0]nona-2,4,6-triene

InChI

InChI=1S/C9H10/c1-2-4-6-9-7-8(9)5-3-1/h1-6,8-9H,7H2/b2-1?,5-3-,6-4?

InChI Key

ZMCCSKLGOXNRGF-XCADPSHZSA-N

Formula

C9H10

SMILES

C1=C\C=C/C2CC2\C=C/1

Molecular Weight¹

118.18

• 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_fus : Normal melting (fusion) point (K).
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Cheméo can also estimate Normal Boiling Point Temperature, 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	[115.42; 354.56]	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			-9.78000e+01
Coefficient B			9.63800e-01
Coefficient C			-7.28840e-04
Coefficient D			2.17400e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	115.42	J/mol×K	273.00	Calculated Property
Cp,gas	161.58	J/mol×K	353.78	Calculated Property
Cp,gas	201.23	J/mol×K	434.56	Calculated Property
Cp,gas	235.07	J/mol×K	515.33	Calculated Property
Cp,gas	263.79	J/mol×K	596.11	Calculated Property
Cp,gas	288.07	J/mol×K	676.89	Calculated Property
Cp,gas	308.60	J/mol×K	757.67	Calculated Property
Cp,gas	326.07	J/mol×K	838.44	Calculated Property
Cp,gas	341.16	J/mol×K	919.22	Calculated Property
Cp,gas	354.56	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0011728; 0.0003747]	Pa×s	[218.79; 456.91]	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			-8.93780e+00
Coefficient B			4.79030e+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.			218.79
Temperature range, max.			456.91
η	0.0011728	Pa×s	218.79	Calculated Property
η	0.0009261	Pa×s	245.25	Calculated Property
η	0.0007657	Pa×s	271.71	Calculated Property
η	0.0006548	Pa×s	298.16	Calculated Property
η	0.0005744	Pa×s	324.62	Calculated Property
η	0.0005140	Pa×s	351.08	Calculated Property
η	0.0004671	Pa×s	377.54	Calculated Property
η	0.0004299	Pa×s	403.99	Calculated Property
η	0.0003996	Pa×s	430.45	Calculated Property
η	0.0003747	Pa×s	456.91	Calculated Property

Similar Compounds

Find more compounds similar to trans Bicyclo[6.1.0]nona-2,4,6-triene.

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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