Chemical Properties of 3',6'-Diacetoxybenzonorbornadiene

InChI

InChI=1S/C15H14O4/c1-8(16)18-12-5-6-13(19-9(2)17)15-11-4-3-10(7-11)14(12)15/h3-6,10-11H,7H2,1-2H3

InChI Key

GHNDBDFQIQQOER-UHFFFAOYSA-N

Formula

C15H14O4

SMILES

CC(=O)Oc1ccc(OC(C)=O)c2c1C1C=CC2C1

Molecular Weight¹

258.27

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

Physical Properties

Cheméo can also estimate 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	[258.29; 608.16]	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			-3.85200e+01
Coefficient B			1.31724e+00
Coefficient C			-9.07160e-04
Coefficient D			2.36600e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	258.29	J/mol×K	273.00	Calculated Property
Cp,gas	324.43	J/mol×K	353.78	Calculated Property
Cp,gas	382.00	J/mol×K	434.56	Calculated Property
Cp,gas	431.76	J/mol×K	515.33	Calculated Property
Cp,gas	474.46	J/mol×K	596.11	Calculated Property
Cp,gas	510.84	J/mol×K	676.89	Calculated Property
Cp,gas	541.65	J/mol×K	757.67	Calculated Property
Cp,gas	567.65	J/mol×K	838.44	Calculated Property
Cp,gas	589.56	J/mol×K	919.22	Calculated Property
Cp,gas	608.16	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0021376; 0.0010327]	Pa×s	[447.61; 651.36]	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			-8.47398e+00
Coefficient B			1.04111e+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.			447.61
Temperature range, max.			651.36
η	0.0021376	Pa×s	447.61	Calculated Property
η	0.0019112	Pa×s	470.25	Calculated Property
η	0.0017264	Pa×s	492.89	Calculated Property
η	0.0015735	Pa×s	515.53	Calculated Property
η	0.0014453	Pa×s	538.17	Calculated Property
η	0.0013367	Pa×s	560.80	Calculated Property
η	0.0012438	Pa×s	583.44	Calculated Property
η	0.0011636	Pa×s	606.08	Calculated Property
η	0.0010938	Pa×s	628.72	Calculated Property
η	0.0010327	Pa×s	651.36	Calculated Property

Similar Compounds

Find more compounds similar to 3',6'-Diacetoxybenzonorbornadiene.

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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