Chemical Properties of Propanedioic acid, oxo-, bis(1-methylethyl) ester (CAS 73972-39-1)

InChI

InChI=1S/C9H14O5/c1-5(2)13-8(11)7(10)9(12)14-6(3)4/h5-6H,1-4H3

InChI Key

ISAKWFYKUTYAQE-UHFFFAOYSA-N

Formula

C9H14O5

SMILES

CC(C)OC(=O)C(=O)C(=O)OC(C)C

Molecular Weight¹

202.20

CAS

73972-39-1

• 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).
• 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).
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Cheméo can also estimate Critical Volume, Standard Gibbs free energy of formation, Acentric Factor 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	[229.38; 489.96]	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			4.95200e+01
Coefficient B			7.33080e-01
Coefficient C			-2.64300e-04
Coefficient D			-2.83400e-08
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	229.38	J/mol×K	273.00	Calculated Property
Cp,gas	274.53	J/mol×K	353.78	Calculated Property
Cp,gas	315.85	J/mol×K	434.56	Calculated Property
Cp,gas	353.23	J/mol×K	515.33	Calculated Property
Cp,gas	386.60	J/mol×K	596.11	Calculated Property
Cp,gas	415.85	J/mol×K	676.89	Calculated Property
Cp,gas	440.90	J/mol×K	757.67	Calculated Property
Cp,gas	461.66	J/mol×K	838.44	Calculated Property
Cp,gas	478.05	J/mol×K	919.22	Calculated Property
Cp,gas	489.96	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0064817; 0.0002100]	Pa×s	[295.78; 536.85]	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			-1.26767e+01
Coefficient B			2.25915e+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.			295.78
Temperature range, max.			536.85
η	0.0064817	Pa×s	295.78	Calculated Property
η	0.0034374	Pa×s	322.57	Calculated Property
η	0.0020092	Pa×s	349.35	Calculated Property
η	0.0012677	Pa×s	376.14	Calculated Property
η	0.0008504	Pa×s	402.92	Calculated Property
η	0.0005996	Pa×s	429.71	Calculated Property
η	0.0004404	Pa×s	456.50	Calculated Property
η	0.0003348	Pa×s	483.28	Calculated Property
η	0.0002619	Pa×s	510.07	Calculated Property
η	0.0002100	Pa×s	536.85	Calculated Property

Similar Compounds

Find more compounds similar to Propanedioic acid, oxo-, bis(1-methylethyl) ester.

Sources

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

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