Chemical Properties of endo-5,6-Bis(hydroxymethyl)bicyclo[2.2.1]hept-2-ene (CAS 699-97-8)

InChI

InChI=1S/C9H14O2/c10-4-8-6-1-2-7(3-6)9(8)5-11/h1-2,6-11H,3-5H2

InChI Key

IGHHPVIMEQGKNE-UHFFFAOYSA-N

Formula

C9H14O2

SMILES

OCC1C2C=CC(C2)C1CO

Molecular Weight¹

154.21

CAS

699-97-8

• 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_triple : Triple Point Temperature (K).
• 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	[167.69; 464.26]	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			-8.06580e+01
Coefficient B			1.11000e+00
Coefficient C			-7.97080e-04
Coefficient D			2.32000e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	167.69	J/mol×K	273.00	Calculated Property
Cp,gas	222.55	J/mol×K	353.78	Calculated Property
Cp,gas	270.22	J/mol×K	434.56	Calculated Property
Cp,gas	311.43	J/mol×K	515.33	Calculated Property
Cp,gas	346.93	J/mol×K	596.11	Calculated Property
Cp,gas	377.44	J/mol×K	676.89	Calculated Property
Cp,gas	403.69	J/mol×K	757.67	Calculated Property
Cp,gas	426.42	J/mol×K	838.44	Calculated Property
Cp,gas	446.37	J/mol×K	919.22	Calculated Property
Cp,gas	464.26	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0119374; 0.0003284]	Pa×s	[337.47; 544.67]	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			-1.38737e+01
Coefficient B			3.18761e+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.			337.47
Temperature range, max.			544.67
η	0.0119374	Pa×s	337.47	Calculated Property
η	0.0065303	Pa×s	360.49	Calculated Property
η	0.0038407	Pa×s	383.51	Calculated Property
η	0.0023988	Pa×s	406.54	Calculated Property
η	0.0015757	Pa×s	429.56	Calculated Property
η	0.0010803	Pa×s	452.58	Calculated Property
η	0.0007682	Pa×s	475.60	Calculated Property
η	0.0005638	Pa×s	498.63	Calculated Property
η	0.0004252	Pa×s	521.65	Calculated Property
η	0.0003284	Pa×s	544.67	Calculated Property

Similar Compounds

Find more compounds similar to endo-5,6-Bis(hydroxymethyl)bicyclo[2.2.1]hept-2-ene.

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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