Chemical Properties of 1,4-Benzodioxin-2-methanol, 2,3-dihydro-

InChI

InChI=1S/C9H10O3/c10-5-7-6-11-8-3-1-2-4-9(8)12-7/h1-4,7,10H,5-6H2

InChI Key

GWQOQQVKVOOHTI-UHFFFAOYSA-N

Formula

C9H10O3

SMILES

OCC1COc2ccccc2O1

Molecular Weight¹

166.18

Other Names

• 1,4-Benzodioxan-2-hydroxymethyl
• 1,4-Benzodioxan-2-methanol
• 1,4-benzodioxane-2-methanol
• 2-Hydroxymethyl-1,4-benzodioxan
• 2-hydroxymethyl-1,4-benzodioxane

• 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).
• Δ_fusH : Enthalpy of fusion at a given temperature (kJ/mol).
• Δ_subH° : Enthalpy of sublimation at standard conditions (kJ/mol).
• 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, 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.

Temperature Dependent Properties

Correlations

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[160.59; 401.31]	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			-4.03290e+01
Coefficient B			8.89700e-01
Coefficient C			-6.06360e-04
Coefficient D			1.58300e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	160.59	J/mol×K	273.00	Calculated Property
Cp,gas	205.55	J/mol×K	353.78	Calculated Property
Cp,gas	244.78	J/mol×K	434.56	Calculated Property
Cp,gas	278.80	J/mol×K	515.33	Calculated Property
Cp,gas	308.09	J/mol×K	596.11	Calculated Property
Cp,gas	333.17	J/mol×K	676.89	Calculated Property
Cp,gas	354.53	J/mol×K	757.67	Calculated Property
Cp,gas	372.68	J/mol×K	838.44	Calculated Property
Cp,gas	388.10	J/mol×K	919.22	Calculated Property
Cp,gas	401.31	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0045913; 0.0002111]	Pa×s	[358.51; 566.10]	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			-1.37820e+01
Coefficient B			3.01090e+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.			358.51
Temperature range, max.			566.10
η	0.0045913	Pa×s	358.51	Calculated Property
η	0.0027636	Pa×s	381.58	Calculated Property
η	0.0017625	Pa×s	404.64	Calculated Property
η	0.0011799	Pa×s	427.71	Calculated Property
η	0.0008230	Pa×s	450.77	Calculated Property
η	0.0005946	Pa×s	473.84	Calculated Property
η	0.0004427	Pa×s	496.90	Calculated Property
η	0.0003384	Pa×s	519.97	Calculated Property
η	0.0002646	Pa×s	543.03	Calculated Property
η	0.0002111	Pa×s	566.10	Calculated Property

Similar Compounds

Find more compounds similar to 1,4-Benzodioxin-2-methanol, 2,3-dihydro-.

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
• Experimental and computational thermochemistry of 1,4-benzodioxan and its 2-R derivatives
• Joback Method
• McGowan Method
• NIST Webbook

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