Chemical Properties of 1,3-Dioxole, 4-methyl-

InChI

InChI=1S/C4H6O2/c1-4-2-5-3-6-4/h2H,3H2,1H3

InChI Key

OHGDYNKEHUBFCC-UHFFFAOYSA-N

Formula

C4H6O2

SMILES

CC1=COCO1

Molecular Weight¹

86.09

• 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).
• 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.

Correlations

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[85.64; 207.03]	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			-1.04500e+01
Coefficient B			4.20520e-01
Coefficient C			-2.69040e-04
Coefficient D			6.60000e-08
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	85.64	J/mol×K	273.00	Calculated Property
Cp,gas	107.57	J/mol×K	353.78	Calculated Property
Cp,gas	126.90	J/mol×K	434.56	Calculated Property
Cp,gas	143.84	J/mol×K	515.33	Calculated Property
Cp,gas	158.60	J/mol×K	596.11	Calculated Property
Cp,gas	171.40	J/mol×K	676.89	Calculated Property
Cp,gas	182.43	J/mol×K	757.67	Calculated Property
Cp,gas	191.90	J/mol×K	838.44	Calculated Property
Cp,gas	200.03	J/mol×K	919.22	Calculated Property
Cp,gas	207.03	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0035731; 0.0003067]	Pa×s	[216.40; 401.52]	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			-1.09596e+01
Coefficient B			1.15239e+03
Coefficient C			0.00000e+00
Coefficient D			0.00000e+00
Coefficient E			0.00000e+00
Temperature range, min.			216.40
Temperature range, max.			401.52
η	0.0035731	Pa×s	216.40	Calculated Property
η	0.0022506	Pa×s	236.97	Calculated Property
η	0.0015262	Pa×s	257.54	Calculated Property
η	0.0010962	Pa×s	278.11	Calculated Property
η	0.0008241	Pa×s	298.67	Calculated Property
η	0.0006427	Pa×s	319.24	Calculated Property
η	0.0005165	Pa×s	339.81	Calculated Property
η	0.0004256	Pa×s	360.38	Calculated Property
η	0.0003582	Pa×s	380.95	Calculated Property
η	0.0003067	Pa×s	401.52	Calculated Property

Similar Compounds

Find more compounds similar to 1,3-Dioxole, 4-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

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.
These property values are available through the Cheméo API. A free account gives you an access key.