Chemical Properties of Methyldicyclopropylglycolate (CAS 100144-93-2)

InChI

InChI=1S/C9H14O3/c1-12-8(10)9(11,6-2-3-6)7-4-5-7/h6-7,11H,2-5H2,1H3

InChI Key

OGSXJBSVCOSDQU-UHFFFAOYSA-N

Formula

C9H14O3

SMILES

COC(=O)C(O)(C1CC1)C1CC1

Molecular Weight¹

170.21

CAS

100144-93-2

• 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).
• T_fus : Normal melting (fusion) point (K).
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Cheméo can also estimate 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	[176.90; 471.37]	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			-9.95500e+01
Coefficient B			1.26562e+00
Coefficient C			-1.01380e-03
Coefficient D			3.19100e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	176.90	J/mol×K	273.00	Calculated Property
Cp,gas	235.44	J/mol×K	353.78	Calculated Property
Cp,gas	285.17	J/mol×K	434.56	Calculated Property
Cp,gas	327.10	J/mol×K	515.33	Calculated Property
Cp,gas	362.24	J/mol×K	596.11	Calculated Property
Cp,gas	391.60	J/mol×K	676.89	Calculated Property
Cp,gas	416.18	J/mol×K	757.67	Calculated Property
Cp,gas	436.99	J/mol×K	838.44	Calculated Property
Cp,gas	455.06	J/mol×K	919.22	Calculated Property
Cp,gas	471.37	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0086834; 0.0005210]	Pa×s	[332.64; 534.75]	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			-1.21900e+01
Coefficient B			2.47605e+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.			332.64
Temperature range, max.			534.75
η	0.0086834	Pa×s	332.64	Calculated Property
η	0.0054231	Pa×s	355.10	Calculated Property
η	0.0035820	Pa×s	377.55	Calculated Property
η	0.0024787	Pa×s	400.01	Calculated Property
η	0.0017837	Pa×s	422.47	Calculated Property
η	0.0013269	Pa×s	444.92	Calculated Property
η	0.0010156	Pa×s	467.38	Calculated Property
η	0.0007966	Pa×s	489.84	Calculated Property
η	0.0006383	Pa×s	512.30	Calculated Property
η	0.0005210	Pa×s	534.75	Calculated Property

Similar Compounds

Find more compounds similar to Methyldicyclopropylglycolate.

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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