Chemical Properties of propyl hexanoate-d11

InChI

InChI=1S/C9H18O2/c1-3-5-6-7-9(10)11-8-4-2/h3-8H2,1-2H3/i1D3,3D2,5D2,6D2,7D2

InChI Key

HTUIWRWYYVBCFT-LELBNVJRSA-N

Formula

C9H18O2

SMILES

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

Molecular Weight¹

169.31

• 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).
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Cheméo can also estimate Critical Volume, Standard Gibbs free energy of formation, Acentric Factor 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	[212.74; 491.76]	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			2.01160e+01
Coefficient B			8.04040e-01
Coefficient C			-3.71200e-04
Coefficient D			3.88000e-08
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	212.74	J/mol×K	273.00	Calculated Property
Cp,gas	259.83	J/mol×K	353.78	Calculated Property
Cp,gas	302.60	J/mol×K	434.56	Calculated Property
Cp,gas	341.20	J/mol×K	515.33	Calculated Property
Cp,gas	375.73	J/mol×K	596.11	Calculated Property
Cp,gas	406.32	J/mol×K	676.89	Calculated Property
Cp,gas	433.10	J/mol×K	757.67	Calculated Property
Cp,gas	456.18	J/mol×K	838.44	Calculated Property
Cp,gas	475.69	J/mol×K	919.22	Calculated Property
Cp,gas	491.76	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0064672; 0.0002794]	Pa×s	[233.52; 444.03]	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			-1.16683e+01
Coefficient B			1.54760e+03
Coefficient C			0.00000e+00
Coefficient D			0.00000e+00
Coefficient E			0.00000e+00
Temperature range, min.			233.52
Temperature range, max.			444.03
η	0.0064672	Pa×s	233.52	Calculated Property
η	0.0035374	Pa×s	256.91	Calculated Property
η	0.0021398	Pa×s	280.30	Calculated Property
η	0.0013986	Pa×s	303.69	Calculated Property
η	0.0009715	Pa×s	327.08	Calculated Property
η	0.0007084	Pa×s	350.47	Calculated Property
η	0.0005374	Pa×s	373.86	Calculated Property
η	0.0004212	Pa×s	397.25	Calculated Property
η	0.0003391	Pa×s	420.64	Calculated Property
η	0.0002794	Pa×s	444.03	Calculated Property

Similar Compounds

Find more compounds similar to propyl hexanoate-d11.

Sources

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

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