Chemical Properties of 1-Hydroxy-2-(prop-2-enyl)-4,5-methylenedioxybenzene

InChI

InChI=1S/C10H10O3/c1-2-3-7-4-9-10(5-8(7)11)13-6-12-9/h2,4-5,11H,1,3,6H2

InChI Key

HSDKTWGTSNDEBZ-UHFFFAOYSA-N

Formula

C10H10O3

SMILES

C=CCc1cc2c(cc1O)OCO2

Molecular Weight¹

178.19

• 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).
• logP_oct/wat : Octanol/Water partition coefficient.
• McVol : McGowan's characteristic volume (ml/mol).
• I_np : Non-polar retention indices.
• T_boil : Normal Boiling Point Temperature (K).
• T_fus : Normal melting (fusion) point (K).
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Property	Value	Unit	Source
ΔfusH°	32.44	kJ/mol	Joback Calculated Property
logPoct/wat	1.849		Crippen Calculated Property
McVol	130.450	ml/mol	McGowan Calculated Property
Inp	[1547.00; 1547.00]
Inp	1547.00		NIST
Inp	1547.00		NIST
Inp	1547.00		NIST
Tboil	554.69	K	Relay (1.0) Calculated Property
Tfus	350.57	K	Relay (1.0) Calculated Property

Cheméo can also estimate 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	[181.56; 416.66]	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			-4.49590e+01
Coefficient B			1.06190e+00
Coefficient C			-9.44380e-04
Coefficient D			3.44100e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	181.56	J/mol×K	273.00	Calculated Property
Cp,gas	227.76	J/mol×K	353.78	Calculated Property
Cp,gas	266.40	J/mol×K	434.56	Calculated Property
Cp,gas	298.57	J/mol×K	515.33	Calculated Property
Cp,gas	325.36	J/mol×K	596.11	Calculated Property
Cp,gas	347.85	J/mol×K	676.89	Calculated Property
Cp,gas	367.14	J/mol×K	757.67	Calculated Property
Cp,gas	384.31	J/mol×K	838.44	Calculated Property
Cp,gas	400.46	J/mol×K	919.22	Calculated Property
Cp,gas	416.66	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0008382; 0.0000897]	Pa×s	[439.20; 591.31]	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			-1.57732e+01
Coefficient B			3.81615e+03
Coefficient C			0.00000e+00
Coefficient D			0.00000e+00
Coefficient E			0.00000e+00
Temperature range, min.			439.20
Temperature range, max.			591.31
η	0.0008382	Pa×s	439.20	Calculated Property
η	0.0006074	Pa×s	456.10	Calculated Property
η	0.0004505	Pa×s	473.00	Calculated Property
η	0.0003410	Pa×s	489.90	Calculated Property
η	0.0002630	Pa×s	506.81	Calculated Property
η	0.0002063	Pa×s	523.71	Calculated Property
η	0.0001642	Pa×s	540.61	Calculated Property
η	0.0001326	Pa×s	557.51	Calculated Property
η	0.0001084	Pa×s	574.41	Calculated Property
η	0.0000897	Pa×s	591.31	Calculated Property

Similar Compounds

Find more compounds similar to 1-Hydroxy-2-(prop-2-enyl)-4,5-methylenedioxybenzene.

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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