Chemical Properties of Butanoic acid, 2,3-dimethyl-, methyl ester (CAS 30540-29-5)

InChI

InChI=1S/C7H14O2/c1-5(2)6(3)7(8)9-4/h5-6H,1-4H3

InChI Key

YLXGEYQXFJAIBQ-UHFFFAOYSA-N

Formula

C7H14O2

SMILES

COC(=O)C(C)C(C)C

Molecular Weight¹

130.18

CAS

30540-29-5

Other Names

• Butyric acid, 2,3-dimethyl-, methyl ester

• 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).
• IE : Ionization energy (eV).
• 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, 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	[169.69; 389.65]	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			1.85700e+01
Coefficient B			6.25880e-01
Coefficient C			-2.68800e-04
Coefficient D			1.40000e-08
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	169.69	J/mol×K	273.00	Calculated Property
Cp,gas	206.97	J/mol×K	353.78	Calculated Property
Cp,gas	240.94	J/mol×K	434.56	Calculated Property
Cp,gas	271.64	J/mol×K	515.33	Calculated Property
Cp,gas	299.11	J/mol×K	596.11	Calculated Property
Cp,gas	323.40	J/mol×K	676.89	Calculated Property
Cp,gas	344.56	J/mol×K	757.67	Calculated Property
Cp,gas	362.62	J/mol×K	838.44	Calculated Property
Cp,gas	377.64	J/mol×K	919.22	Calculated Property
Cp,gas	389.65	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0208080; 0.0002312]	Pa×s	[180.98; 418.51]	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			-1.18010e+01
Coefficient B			1.43492e+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.			180.98
Temperature range, max.			418.51
η	0.0208080	Pa×s	180.98	Calculated Property
η	0.0075857	Pa×s	207.37	Calculated Property
η	0.0034731	Pa×s	233.76	Calculated Property
η	0.0018633	Pa×s	260.16	Calculated Property
η	0.0011211	Pa×s	286.55	Calculated Property
η	0.0007349	Pa×s	312.94	Calculated Property
η	0.0005145	Pa×s	339.33	Calculated Property
η	0.0003792	Pa×s	365.72	Calculated Property
η	0.0002912	Pa×s	392.12	Calculated Property
η	0.0002312	Pa×s	418.51	Calculated Property

Similar Compounds

Find more compounds similar to Butanoic acid, 2,3-dimethyl-, methyl ester.

Sources

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

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