Chemical Properties of m-Dioxin, 6-methyl- (CAS 15973-03-2)

InChI

InChI=1S/C5H8O2/c1-5-2-3-6-4-7-5/h2H,3-4H2,1H3

InChI Key

XZXHLKGJBTVUGT-UHFFFAOYSA-N

Formula

C5H8O2

SMILES

CC1=CCOCO1

Molecular Weight¹

100.12

CAS

15973-03-2

• 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_boil : Normal Boiling Point Temperature (K).
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Cheméo can also estimate 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	[101.97; 260.40]	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			-1.64800e+01
Coefficient B			5.05920e-01
Coefficient C			-2.77040e-04
Coefficient D			4.80000e-08
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	101.97	J/mol×K	273.00	Calculated Property
Cp,gas	129.95	J/mol×K	353.78	Calculated Property
Cp,gas	154.99	J/mol×K	434.56	Calculated Property
Cp,gas	177.23	J/mol×K	515.33	Calculated Property
Cp,gas	196.83	J/mol×K	596.11	Calculated Property
Cp,gas	213.92	J/mol×K	676.89	Calculated Property
Cp,gas	228.68	J/mol×K	757.67	Calculated Property
Cp,gas	241.24	J/mol×K	838.44	Calculated Property
Cp,gas	251.76	J/mol×K	919.22	Calculated Property
Cp,gas	260.40	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0061364; 0.0002812]	Pa×s	[224.15; 425.61]	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			-1.16067e+01
Coefficient B			1.45992e+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.			224.15
Temperature range, max.			425.61
η	0.0061364	Pa×s	224.15	Calculated Property
η	0.0033969	Pa×s	246.53	Calculated Property
η	0.0020750	Pa×s	268.92	Calculated Property
η	0.0013672	Pa×s	291.30	Calculated Property
η	0.0009561	Pa×s	313.69	Calculated Property
η	0.0007013	Pa×s	336.07	Calculated Property
η	0.0005347	Pa×s	358.46	Calculated Property
η	0.0004208	Pa×s	380.84	Calculated Property
η	0.0003402	Pa×s	403.23	Calculated Property
η	0.0002812	Pa×s	425.61	Calculated Property

Similar Compounds

Find more compounds similar to m-Dioxin, 6-methyl-.

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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