Chemical Properties of EXO-CIS-NORBORN-5-ENE-2,3-DIOL

InChI

InChI=1S/C7H10O2/c8-6-4-1-2-5(3-4)7(6)9/h1-2,4-9H,3H2

InChI Key

TZLWRLOYRRZECT-UHFFFAOYSA-N

Formula

C7H10O2

SMILES

OC1C2C=CC(C2)C1O

Molecular Weight¹

126.15

• 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

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	[125.26; 361.08]	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			-7.88400e+01
Coefficient B			9.20000e-01
Coefficient C			-6.88280e-04
Coefficient D			2.08200e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	125.26	J/mol×K	273.00	Calculated Property
Cp,gas	169.71	J/mol×K	353.78	Calculated Property
Cp,gas	208.06	J/mol×K	434.56	Calculated Property
Cp,gas	240.97	J/mol×K	515.33	Calculated Property
Cp,gas	269.11	J/mol×K	596.11	Calculated Property
Cp,gas	293.11	J/mol×K	676.89	Calculated Property
Cp,gas	313.66	J/mol×K	757.67	Calculated Property
Cp,gas	331.39	J/mol×K	838.44	Calculated Property
Cp,gas	346.98	J/mol×K	919.22	Calculated Property
Cp,gas	361.08	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0157201; 0.0003881]	Pa×s	[314.93; 515.13]	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			-1.36765e+01
Coefficient B			2.99929e+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.			314.93
Temperature range, max.			515.13
η	0.0157201	Pa×s	314.93	Calculated Property
η	0.0083865	Pa×s	337.17	Calculated Property
η	0.0048359	Pa×s	359.42	Calculated Property
η	0.0029734	Pa×s	381.66	Calculated Property
η	0.0019288	Pa×s	403.91	Calculated Property
η	0.0013090	Pa×s	426.15	Calculated Property
η	0.0009232	Pa×s	448.40	Calculated Property
η	0.0006730	Pa×s	470.64	Calculated Property
η	0.0005048	Pa×s	492.89	Calculated Property
η	0.0003881	Pa×s	515.13	Calculated Property

Similar Compounds

Find more compounds similar to EXO-CIS-NORBORN-5-ENE-2,3-DIOL.

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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