Chemical Properties of 1,3-Benzodioxol-4-ol, 2,2-dimethyl

InChI

InChI=1S/C9H10O3/c1-9(2)11-7-5-3-4-6(10)8(7)12-9/h3-5,10H,1-2H3

InChI Key

CSSWBRMYHJVCPZ-UHFFFAOYSA-N

Formula

C9H10O3

SMILES

CC1(C)Oc2cccc(O)c2O1

Molecular Weight¹

166.17

• C_p,gas : Ideal gas heat capacity (J/mol×K).
• Δ_fusH° : Enthalpy of fusion at standard conditions (kJ/mol).
• logP_oct/wat : Octanol/Water partition coefficient.
• McVol : McGowan's characteristic volume (ml/mol).
• I_np : Non-polar retention indices.
• T_fus : Normal melting (fusion) point (K).
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Cheméo can also estimate Normal Boiling Point Temperature, 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, Ionization energy, 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	[165.94; 410.61]	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			-9.94100e+01
Coefficient B			1.31184e+00
Coefficient C			-1.41132e-03
Coefficient D			6.09500e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	165.94	J/mol×K	273.00	Calculated Property
Cp,gas	215.04	J/mol×K	353.78	Calculated Property
Cp,gas	254.16	J/mol×K	434.56	Calculated Property
Cp,gas	285.24	J/mol×K	515.33	Calculated Property
Cp,gas	310.19	J/mol×K	596.11	Calculated Property
Cp,gas	330.95	J/mol×K	676.89	Calculated Property
Cp,gas	349.45	J/mol×K	757.67	Calculated Property
Cp,gas	367.60	J/mol×K	838.44	Calculated Property
Cp,gas	387.35	J/mol×K	919.22	Calculated Property
Cp,gas	410.61	J/mol×K	1000.00	Calculated Property

Similar Compounds

Find more compounds similar to 1,3-Benzodioxol-4-ol, 2,2-dimethyl.

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.
Calculated This icon marks a calculated value or equation: a prediction, not a measurement.
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