Chemical Properties of Tricyclo[3.2.1.02,4]octan-8-ol,acetate,exo-anti-

InChI

InChI=1S/C8H12O/c9-8-4-1-2-5(8)7-3-6(4)7/h4-9H,1-3H2/t4-,5-,6-,7-/m1/s1

InChI Key

KKIDVQSXZVWGTL-AXMZGBSTSA-N

Formula

C8H12O

SMILES

OC1[C@@H]2CC[C@@H]1[C@H]1C[C@@H]12

Molecular Weight¹

124.18

• 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).
• 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, 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	[126.79; 401.48]	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			-1.32820e+02
Coefficient B			1.20710e+00
Coefficient C			-1.03800e-03
Coefficient D			3.65200e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	126.79	J/mol×K	273.00	Calculated Property
Cp,gas	180.48	J/mol×K	353.78	Calculated Property
Cp,gas	225.69	J/mol×K	434.56	Calculated Property
Cp,gas	263.56	J/mol×K	515.33	Calculated Property
Cp,gas	295.25	J/mol×K	596.11	Calculated Property
Cp,gas	321.92	J/mol×K	676.89	Calculated Property
Cp,gas	344.73	J/mol×K	757.67	Calculated Property
Cp,gas	364.82	J/mol×K	838.44	Calculated Property
Cp,gas	383.35	J/mol×K	919.22	Calculated Property
Cp,gas	401.48	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0031626; 0.0015705]	Pa×s	[289.60; 470.63]	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			-7.57624e+00
Coefficient B			5.27040e+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.			289.60
Temperature range, max.			470.63
η	0.0031626	Pa×s	289.60	Calculated Property
η	0.0028101	Pa×s	309.71	Calculated Property
η	0.0025331	Pa×s	329.83	Calculated Property
η	0.0023108	Pa×s	349.94	Calculated Property
η	0.0021291	Pa×s	370.06	Calculated Property
η	0.0019784	Pa×s	390.17	Calculated Property
η	0.0018516	Pa×s	410.29	Calculated Property
η	0.0017438	Pa×s	430.40	Calculated Property
η	0.0016510	Pa×s	450.52	Calculated Property
η	0.0015705	Pa×s	470.63	Calculated Property

Similar Compounds

Find more compounds similar to Tricyclo[3.2.1.02,4]octan-8-ol,acetate,exo-anti-.

Sources

• 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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