Chemical Properties of Adipic acid, 3-methoxy-

InChI

InChI=1S/C7H12O5/c1-12-5(4-7(10)11)2-3-6(8)9/h5H,2-4H2,1H3,(H,8,9)(H,10,11)

InChI Key

TURPUAICQCJDTN-UHFFFAOYSA-N

Formula

C7H12O5

SMILES

COC(CCC(=O)O)CC(=O)O

Molecular Weight¹

176.17

• C_p,gas : Ideal gas heat capacity (J/mol×K).
• η : Dynamic viscosity (Pa×s).
• Δ_fusH° : Enthalpy of fusion at standard conditions (kJ/mol).
• logP_oct/wat : Octanol/Water partition coefficient.
• McVol : McGowan's characteristic volume (ml/mol).
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Cheméo can also estimate Normal Boiling Point Temperature, Normal melting (fusion) point, Critical Temperature, Critical Pressure, Critical Volume, Enthalpy of formation at standard conditions, Enthalpy of vaporization at standard conditions, 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	[196.31; 421.06]	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			2.95430e+01
Coefficient B			7.13120e-01
Coefficient C			-3.94400e-04
Coefficient D			7.28000e-08
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	196.31	J/mol×K	273.00	Calculated Property
Cp,gas	235.69	J/mol×K	353.78	Calculated Property
Cp,gas	270.93	J/mol×K	434.56	Calculated Property
Cp,gas	302.26	J/mol×K	515.33	Calculated Property
Cp,gas	329.91	J/mol×K	596.11	Calculated Property
Cp,gas	354.12	J/mol×K	676.89	Calculated Property
Cp,gas	375.11	J/mol×K	757.67	Calculated Property
Cp,gas	393.11	J/mol×K	838.44	Calculated Property
Cp,gas	408.35	J/mol×K	919.22	Calculated Property
Cp,gas	421.06	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0006520; 0.0002364]	Pa×s	[497.08; 612.97]	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			-1.27016e+01
Coefficient B			2.66735e+03
Coefficient C			0.00000e+00
Coefficient D			0.00000e+00
Coefficient E			0.00000e+00
Temperature range, min.			497.08
Temperature range, max.			612.97
η	0.0006520	Pa×s	497.08	Calculated Property
η	0.0005693	Pa×s	509.96	Calculated Property
η	0.0005005	Pa×s	522.83	Calculated Property
η	0.0004428	Pa×s	535.71	Calculated Property
η	0.0003939	Pa×s	548.59	Calculated Property
η	0.0003524	Pa×s	561.47	Calculated Property
η	0.0003168	Pa×s	574.34	Calculated Property
η	0.0002861	Pa×s	587.22	Calculated Property
η	0.0002595	Pa×s	600.10	Calculated Property
η	0.0002364	Pa×s	612.97	Calculated Property

Similar Compounds

Find more compounds similar to Adipic acid, 3-methoxy-.

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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