Chemical Properties of butyl butanoate-d3

InChI

InChI=1S/C8H16O2/c1-3-5-7-10-8(9)6-4-2/h3-7H2,1-2H3/i2D3

InChI Key

XUPYJHCZDLZNFP-BMSJAHLVSA-N

Formula

C8H16O2

SMILES

[2H]C([2H])([2H])CCC(=O)OCCCC

Molecular Weight¹

147.23

• 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_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 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	[191.53; 440.16]	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			2.10250e+01
Coefficient B			7.09040e-01
Coefficient C			-3.16800e-04
Coefficient D			2.69000e-08
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	191.53	J/mol×K	273.00	Calculated Property
Cp,gas	233.41	J/mol×K	353.78	Calculated Property
Cp,gas	271.53	J/mol×K	434.56	Calculated Property
Cp,gas	305.97	J/mol×K	515.33	Calculated Property
Cp,gas	336.82	J/mol×K	596.11	Calculated Property
Cp,gas	364.16	J/mol×K	676.89	Calculated Property
Cp,gas	388.08	J/mol×K	757.67	Calculated Property
Cp,gas	408.66	J/mol×K	838.44	Calculated Property
Cp,gas	426.00	J/mol×K	919.22	Calculated Property
Cp,gas	440.16	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0062867; 0.0002693]	Pa×s	[222.25; 428.82]	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			-1.16090e+01
Coefficient B			1.45344e+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.			222.25
Temperature range, max.			428.82
η	0.0062867	Pa×s	222.25	Calculated Property
η	0.0034085	Pa×s	245.20	Calculated Property
η	0.0020522	Pa×s	268.16	Calculated Property
η	0.0013385	Pa×s	291.11	Calculated Property
η	0.0009293	Pa×s	314.06	Calculated Property
η	0.0006781	Pa×s	337.01	Calculated Property
η	0.0005150	Pa×s	359.97	Calculated Property
η	0.0004043	Pa×s	382.92	Calculated Property
η	0.0003262	Pa×s	405.87	Calculated Property
η	0.0002693	Pa×s	428.82	Calculated Property

Similar Compounds

Find more compounds similar to butyl butanoate-d3.

Sources

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

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