Chemical Properties of Bicyclo[3.2.0]hepta-2,6-diene

InChI

InChI=1S/C7H8/c1-2-6-4-5-7(6)3-1/h1-2,4-7H,3H2

InChI Key

PZWQRDVVVKIYLX-UHFFFAOYSA-N

Formula

C7H8

SMILES

C1=CC2C=CC2C1

Molecular Weight¹

92.14

• 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	264.00	kJ/mol	NIST
ΔfusH°	10.50	kJ/mol	Joback Calculated Property
ΔvapH°	38.13	kJ/mol	Relay (1.0) Calculated Property
IE	[8.35; 8.92]	eV
IE	8.35	eV	NIST
IE	8.35	eV	NIST
IE	8.92	eV	NIST
logPoct/wat	1.748		Crippen Calculated Property
McVol	79.170	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	[89.25; 279.12]	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			-9.35200e+01
Coefficient B			8.49000e-01
Coefficient C			-7.25560e-04
Coefficient D			2.49200e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	89.25	J/mol×K	273.00	Calculated Property
Cp,gas	127.06	J/mol×K	353.78	Calculated Property
Cp,gas	158.85	J/mol×K	434.56	Calculated Property
Cp,gas	185.42	J/mol×K	515.33	Calculated Property
Cp,gas	207.54	J/mol×K	596.11	Calculated Property
Cp,gas	226.01	J/mol×K	676.89	Calculated Property
Cp,gas	241.61	J/mol×K	757.67	Calculated Property
Cp,gas	255.14	J/mol×K	838.44	Calculated Property
Cp,gas	267.38	J/mol×K	919.22	Calculated Property
Cp,gas	279.12	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0003417; 0.0003777]	Pa×s	[202.53; 408.30]	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			-7.78268e+00
Coefficient B			-4.02700e+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.			202.53
Temperature range, max.			408.30
η	0.0003417	Pa×s	202.53	Calculated Property
η	0.0003487	Pa×s	225.39	Calculated Property
η	0.0003545	Pa×s	248.26	Calculated Property
η	0.0003594	Pa×s	271.12	Calculated Property
η	0.0003635	Pa×s	293.98	Calculated Property
η	0.0003671	Pa×s	316.85	Calculated Property
η	0.0003703	Pa×s	339.71	Calculated Property
η	0.0003731	Pa×s	362.57	Calculated Property
η	0.0003755	Pa×s	385.44	Calculated Property
η	0.0003777	Pa×s	408.30	Calculated Property

Similar Compounds

Find more compounds similar to Bicyclo[3.2.0]hepta-2,6-diene.

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

Note: Cheméo is only indexing the data, follow the source links to retrieve the latest data. The source is also providing more information like the publication year, authors and more. Take the time to validate and double check the source of the data.
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