Chemical Properties of Pentanedioic acid, 3-hydroxy-3-(1-methylethyl), dimethyl ester

InChI

InChI=1S/C10H18O5/c1-7(2)10(13,5-8(11)14-3)6-9(12)15-4/h7,13H,5-6H2,1-4H3

InChI Key

IBYRCUNEKPBGQF-UHFFFAOYSA-N

Formula

C10H18O5

SMILES

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

Molecular Weight¹

218.25

• 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).
• I_np : Non-polar retention indices.
• 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 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	[261.02; 572.13]	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			2.37520e+01
Coefficient B			1.00998e+00
Coefficient C			-5.36400e-04
Coefficient D			7.48000e-08
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	261.02	J/mol×K	273.00	Calculated Property
Cp,gas	317.24	J/mol×K	353.78	Calculated Property
Cp,gas	367.49	J/mol×K	434.56	Calculated Property
Cp,gas	412.01	J/mol×K	515.33	Calculated Property
Cp,gas	451.05	J/mol×K	596.11	Calculated Property
Cp,gas	484.83	J/mol×K	676.89	Calculated Property
Cp,gas	513.59	J/mol×K	757.67	Calculated Property
Cp,gas	537.57	J/mol×K	838.44	Calculated Property
Cp,gas	557.00	J/mol×K	919.22	Calculated Property
Cp,gas	572.13	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0103567; 0.0000743]	Pa×s	[335.36; 569.25]	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			-1.65854e+01
Coefficient B			4.02943e+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.			335.36
Temperature range, max.			569.25
η	0.0103567	Pa×s	335.36	Calculated Property
η	0.0043645	Pa×s	361.35	Calculated Property
η	0.0020654	Pa×s	387.34	Calculated Property
η	0.0010738	Pa×s	413.32	Calculated Property
η	0.0006032	Pa×s	439.31	Calculated Property
η	0.0003614	Pa×s	465.30	Calculated Property
η	0.0002286	Pa×s	491.29	Calculated Property
η	0.0001514	Pa×s	517.28	Calculated Property
η	0.0001043	Pa×s	543.26	Calculated Property
η	0.0000743	Pa×s	569.25	Calculated Property

Similar Compounds

Find more compounds similar to Pentanedioic acid, 3-hydroxy-3-(1-methylethyl), dimethyl ester.

Sources

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

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