Chemical Properties of 2-Methylpentanoic acid, 3,4-dimethylphenyl ester

InChI

InChI=1S/C14H20O2/c1-5-6-11(3)14(15)16-13-8-7-10(2)12(4)9-13/h7-9,11H,5-6H2,1-4H3

InChI Key

GEBCPKNJBOHNGU-UHFFFAOYSA-N

Formula

C14H20O2

SMILES

CCCC(C)C(=O)Oc1ccc(C)c(C)c1

Molecular Weight¹

220.31

• 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).
• I_np : Non-polar retention indices.
• T_fus : Normal melting (fusion) point (K).
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Cheméo can also estimate Normal Boiling Point Temperature, 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	[266.34; 625.64]	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			8.58200e+00
Coefficient B			1.08708e+00
Coefficient C			-5.43520e-04
Coefficient D			7.35000e-08
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	266.34	J/mol×K	273.00	Calculated Property
Cp,gas	328.39	J/mol×K	353.78	Calculated Property
Cp,gas	384.37	J/mol×K	434.56	Calculated Property
Cp,gas	434.51	J/mol×K	515.33	Calculated Property
Cp,gas	479.03	J/mol×K	596.11	Calculated Property
Cp,gas	518.18	J/mol×K	676.89	Calculated Property
Cp,gas	552.18	J/mol×K	757.67	Calculated Property
Cp,gas	581.27	J/mol×K	838.44	Calculated Property
Cp,gas	605.68	J/mol×K	919.22	Calculated Property
Cp,gas	625.64	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0021535; 0.0001570]	Pa×s	[326.33; 572.53]	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			-1.22300e+01
Coefficient B			1.98712e+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.			326.33
Temperature range, max.			572.53
η	0.0021535	Pa×s	326.33	Calculated Property
η	0.0013446	Pa×s	353.69	Calculated Property
η	0.0008983	Pa×s	381.04	Calculated Property
η	0.0006335	Pa×s	408.40	Calculated Property
η	0.0004667	Pa×s	435.75	Calculated Property
η	0.0003565	Pa×s	463.11	Calculated Property
η	0.0002806	Pa×s	490.46	Calculated Property
η	0.0002266	Pa×s	517.82	Calculated Property
η	0.0001869	Pa×s	545.18	Calculated Property
η	0.0001570	Pa×s	572.53	Calculated Property

Similar Compounds

Find more compounds similar to 2-Methylpentanoic acid, 3,4-dimethylphenyl ester.

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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