Chemical Properties of butyl heptanoate-d13

InChI

InChI=1S/C11H22O2/c1-3-5-7-8-9-11(12)13-10-6-4-2/h3-10H2,1-2H3/i1D3,3D2,5D2,7D2,8D2,9D2

InChI Key

YPQSPODHFDGVAC-DMMZKVCBSA-N

Formula

C11H22O2

SMILES

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

Molecular Weight¹

199.37

• 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	[255.17; 594.94]	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			1.82980e+01
Coefficient B			9.94040e-01
Coefficient C			-4.80000e-04
Coefficient D			6.26000e-08
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	255.17	J/mol×K	273.00	Calculated Property
Cp,gas	312.66	J/mol×K	353.78	Calculated Property
Cp,gas	364.76	J/mol×K	434.56	Calculated Property
Cp,gas	411.65	J/mol×K	515.33	Calculated Property
Cp,gas	453.55	J/mol×K	596.11	Calculated Property
Cp,gas	490.64	J/mol×K	676.89	Calculated Property
Cp,gas	523.13	J/mol×K	757.67	Calculated Property
Cp,gas	551.21	J/mol×K	838.44	Calculated Property
Cp,gas	575.08	J/mol×K	919.22	Calculated Property
Cp,gas	594.94	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0059553; 0.0002629]	Pa×s	[256.06; 474.41]	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			-1.19028e+01
Coefficient B			1.73592e+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.			256.06
Temperature range, max.			474.41
η	0.0059553	Pa×s	256.06	Calculated Property
η	0.0033120	Pa×s	280.32	Calculated Property
η	0.0020224	Pa×s	304.58	Calculated Property
η	0.0013282	Pa×s	328.84	Calculated Property
η	0.0009242	Pa×s	353.10	Calculated Property
η	0.0006737	Pa×s	377.36	Calculated Property
η	0.0005103	Pa×s	401.62	Calculated Property
η	0.0003989	Pa×s	425.89	Calculated Property
η	0.0003202	Pa×s	450.15	Calculated Property
η	0.0002629	Pa×s	474.41	Calculated Property

Similar Compounds

Find more compounds similar to butyl heptanoate-d13.

Sources

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

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