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

C9H18O2

SMILES

[2H]C([2H])([2H])CC(C)COC(=O)CCC

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).
• 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_p : 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	[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	[0.0100949; 0.0002490]	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			-1.18510e+01
Coefficient B			1.58542e+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.			218.52
Temperature range, max.			446.25
η	0.0100949	Pa×s	218.52	Calculated Property
η	0.0047545	Pa×s	243.82	Calculated Property
η	0.0025799	Pa×s	269.13	Calculated Property
η	0.0015550	Pa×s	294.43	Calculated Property
η	0.0010155	Pa×s	319.73	Calculated Property
η	0.0007059	Pa×s	345.04	Calculated Property
η	0.0005157	Pa×s	370.34	Calculated Property
η	0.0003922	Pa×s	395.64	Calculated Property
η	0.0003082	Pa×s	420.95	Calculated Property
η	0.0002490	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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