Chemical Properties of Oo-t-butyl o-methylsuccinate (CAS 29269-20-3)

InChI

InChI=1S/C9H16O5/c1-9(2,3)14-13-8(11)6-5-7(10)12-4/h5-6H2,1-4H3

InChI Key

VAMBMSNSIPIASM-UHFFFAOYSA-N

Formula

C9H16O5

SMILES

COC(=O)CCC(=O)OOC(C)(C)C

Molecular Weight¹

204.22

CAS

29269-20-3

• ω : Acentric Factor.
• 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_fH°_liquid : Liquid phase 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).
• log₁₀WS : Log10 of Water solubility in mol/l.
• logP_oct/wat : Octanol/Water partition coefficient.
• McVol : McGowan's characteristic volume (ml/mol).
• P_c : Critical Pressure (kPa).
• T_boil : Normal Boiling Point Temperature (K).
• T_c : Critical Temperature (K).
• T_fus : Normal melting (fusion) point (K).
• V_c : Critical Volume (m³/kmol).
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Cheméo can also estimate Standard Gibbs free energy of formation for this compound, but it falls outside the models' validated range, so it is not shown here. Open the prediction tool to compute it on demand.

Correlations

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[243.02; 519.83]	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			4.65520e+01
Coefficient B			8.11880e-01
Coefficient C			-3.37400e-04
Coefficient D			-1.20000e-09
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	243.02	J/mol×K	273.00	Calculated Property
Cp,gas	291.50	J/mol×K	353.78	Calculated Property
Cp,gas	335.55	J/mol×K	434.56	Calculated Property
Cp,gas	375.17	J/mol×K	515.33	Calculated Property
Cp,gas	410.37	J/mol×K	596.11	Calculated Property
Cp,gas	441.14	J/mol×K	676.89	Calculated Property
Cp,gas	467.48	J/mol×K	757.67	Calculated Property
Cp,gas	489.37	J/mol×K	838.44	Calculated Property
Cp,gas	506.83	J/mol×K	919.22	Calculated Property
Cp,gas	519.83	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0040298; 0.0001757]	Pa×s	[300.50; 508.70]	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			-1.31678e+01
Coefficient B			2.29995e+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.			300.50
Temperature range, max.			508.70
η	0.0040298	Pa×s	300.50	Calculated Property
η	0.0023318	Pa×s	323.63	Calculated Property
η	0.0014514	Pa×s	346.77	Calculated Property
η	0.0009586	Pa×s	369.90	Calculated Property
η	0.0006648	Pa×s	393.03	Calculated Property
η	0.0004802	Pa×s	416.16	Calculated Property
η	0.0003590	Pa×s	439.30	Calculated Property
η	0.0002763	Pa×s	462.43	Calculated Property
η	0.0002180	Pa×s	485.56	Calculated Property
η	0.0001757	Pa×s	508.70	Calculated Property

Similar Compounds

Find more compounds similar to Oo-t-butyl o-methylsuccinate.

Sources

• Cheméo Relay (1.0)
• Crippen Method
• Crippen Method
• Joback Method
• McGowan Method
• NIST Webbook

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