Chemical Properties of 2-methylbutyl-d-3 butanoate

InChI

InChI=1S/C9H18O2/c1-4-6-9(10)11-7-8(3)5-2/h8H,4-7H2,1-3H3/i2D3

InChI Key

MBZKQDXXFMITAC-BMSJAHLVSA-N

Formula

C9H15D3O2

SMILES

CCCC(=O)OCC(C)CC

Molecular Weight¹

161.26

• 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).
• 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 : 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 for this compound, but it falls outside the models' validated range, so it is not shown here. Open the prediction tool to compute it on demand.

Correlations

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[212.43; 492.29]	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			1.84340e+01
Coefficient B			8.09960e-01
Coefficient C			-3.74400e-04
Coefficient D			3.83000e-08
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	212.43	J/mol×K	273.00	Calculated Property
Cp,gas	259.82	J/mol×K	353.78	Calculated Property
Cp,gas	302.85	J/mol×K	434.56	Calculated Property
Cp,gas	341.65	J/mol×K	515.33	Calculated Property
Cp,gas	376.33	J/mol×K	596.11	Calculated Property
Cp,gas	407.02	J/mol×K	676.89	Calculated Property
Cp,gas	433.84	J/mol×K	757.67	Calculated Property
Cp,gas	456.92	J/mol×K	838.44	Calculated Property
Cp,gas	476.36	J/mol×K	919.22	Calculated Property
Cp,gas	492.29	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0099060; 0.0002443]	Pa×s	[218.52; 446.25]	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			-1.18699e+01
Coefficient B			1.58542e+03
Coefficient C			0.00000e+00
Coefficient D			0.00000e+00
Coefficient E			0.00000e+00
Temperature range, min.			218.52
Temperature range, max.			446.25
η	0.0099060	Pa×s	218.52	Calculated Property
η	0.0046656	Pa×s	243.82	Calculated Property
η	0.0025316	Pa×s	269.13	Calculated Property
η	0.0015259	Pa×s	294.43	Calculated Property
η	0.0009965	Pa×s	319.73	Calculated Property
η	0.0006927	Pa×s	345.04	Calculated Property
η	0.0005060	Pa×s	370.34	Calculated Property
η	0.0003848	Pa×s	395.64	Calculated Property
η	0.0003025	Pa×s	420.95	Calculated Property
η	0.0002443	Pa×s	446.25	Calculated Property

Similar Compounds

Find more compounds similar to 2-methylbutyl-d-3 butanoate.

Sources

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

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