Chemical Properties of Adipic acid, butyl 2,3-dimethylphenyl ester

InChI

InChI=1S/C18H26O4/c1-4-5-13-21-17(19)11-6-7-12-18(20)22-16-10-8-9-14(2)15(16)3/h8-10H,4-7,11-13H2,1-3H3

InChI Key

OODLUFCFTUJGAK-UHFFFAOYSA-N

Formula

C18H26O4

SMILES

CCCCOC(=O)CCCCC(=O)Oc1cccc(C)c1C

Molecular Weight¹

306.40

• 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_fusH° : Enthalpy of fusion at standard conditions (kJ/mol).
• Δ_vapH° : Enthalpy of vaporization at standard conditions (kJ/mol).
• 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_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, Ionization energy 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	[367.85; 839.58]	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			3.20370e+01
Coefficient B			1.40636e+00
Coefficient C			-6.63320e-04
Coefficient D			6.45000e-08
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	367.85	J/mol×K	273.00	Calculated Property
Cp,gas	449.41	J/mol×K	353.78	Calculated Property
Cp,gas	523.21	J/mol×K	434.56	Calculated Property
Cp,gas	589.45	J/mol×K	515.33	Calculated Property
Cp,gas	648.34	J/mol×K	596.11	Calculated Property
Cp,gas	700.07	J/mol×K	676.89	Calculated Property
Cp,gas	744.86	J/mol×K	757.67	Calculated Property
Cp,gas	782.90	J/mol×K	838.44	Calculated Property
Cp,gas	814.41	J/mol×K	919.22	Calculated Property
Cp,gas	839.58	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0009164; 0.0000924]	Pa×s	[428.74; 672.31]	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			-1.33291e+01
Coefficient B			2.71566e+03
Coefficient C			0.00000e+00
Coefficient D			0.00000e+00
Coefficient E			0.00000e+00
Temperature range, min.			428.74
Temperature range, max.			672.31
η	0.0009164	Pa×s	428.74	Calculated Property
η	0.0006292	Pa×s	455.80	Calculated Property
η	0.0004505	Pa×s	482.87	Calculated Property
η	0.0003343	Pa×s	509.93	Calculated Property
η	0.0002556	Pa×s	536.99	Calculated Property
η	0.0002005	Pa×s	564.05	Calculated Property
η	0.0001609	Pa×s	591.12	Calculated Property
η	0.0001316	Pa×s	618.18	Calculated Property
η	0.0001094	Pa×s	645.24	Calculated Property
η	0.0000924	Pa×s	672.31	Calculated Property

Similar Compounds

Find more compounds similar to Adipic acid, butyl 2,3-dimethylphenyl ester.

Sources

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

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