Chemical Properties of 1,2-Dimethyl-3-carbomethoxycyclopropene (CAS 20939-00-8)

InChI

InChI=1S/C7H10O2/c1-4-5(2)6(4)7(8)9-3/h6H,1-3H3

InChI Key

IKBRSONWVHPZBT-UHFFFAOYSA-N

Formula

C7H10O2

SMILES

COC(=O)C1C(C)=C1C

Molecular Weight¹

126.15

CAS

20939-00-8

• 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).
• 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, 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	[145.50; 330.93]	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			8.07000e+00
Coefficient B			5.89960e-01
Coefficient C			-3.35800e-04
Coefficient D			6.87000e-08
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	145.50	J/mol×K	273.00	Calculated Property
Cp,gas	177.80	J/mol×K	353.78	Calculated Property
Cp,gas	206.67	J/mol×K	434.56	Calculated Property
Cp,gas	232.32	J/mol×K	515.33	Calculated Property
Cp,gas	254.98	J/mol×K	596.11	Calculated Property
Cp,gas	274.86	J/mol×K	676.89	Calculated Property
Cp,gas	292.17	J/mol×K	757.67	Calculated Property
Cp,gas	307.15	J/mol×K	838.44	Calculated Property
Cp,gas	319.99	J/mol×K	919.22	Calculated Property
Cp,gas	330.93	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0010285; 0.0003564]	Pa×s	[254.72; 437.97]	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			-9.41249e+00
Coefficient B			6.45160e+02
Coefficient C			0.00000e+00
Coefficient D			0.00000e+00
Coefficient E			0.00000e+00
Temperature range, min.			254.72
Temperature range, max.			437.97
η	0.0010285	Pa×s	254.72	Calculated Property
η	0.0008527	Pa×s	275.08	Calculated Property
η	0.0007254	Pa×s	295.44	Calculated Property
η	0.0006301	Pa×s	315.80	Calculated Property
η	0.0005568	Pa×s	336.17	Calculated Property
η	0.0004990	Pa×s	356.53	Calculated Property
η	0.0004525	Pa×s	376.89	Calculated Property
η	0.0004145	Pa×s	397.25	Calculated Property
η	0.0003829	Pa×s	417.61	Calculated Property
η	0.0003564	Pa×s	437.97	Calculated Property

Similar Compounds

Find more compounds similar to 1,2-Dimethyl-3-carbomethoxycyclopropene.

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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