Chemical Properties of propyl hexanoate-d3

InChI

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

InChI Key

HTUIWRWYYVBCFT-FIBGUPNXSA-N

Formula

C9H15D3O2

SMILES

CCCCCC(=O)OCCC

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	[212.74; 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	[0.0060445; 0.0002611]	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			-1.17359e+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	0.0060445	Pa×s	233.52	Calculated Property
η	0.0033061	Pa×s	256.91	Calculated Property
η	0.0019999	Pa×s	280.30	Calculated Property
η	0.0013072	Pa×s	303.69	Calculated Property
η	0.0009080	Pa×s	327.08	Calculated Property
η	0.0006621	Pa×s	350.47	Calculated Property
η	0.0005023	Pa×s	373.86	Calculated Property
η	0.0003936	Pa×s	397.25	Calculated Property
η	0.0003170	Pa×s	420.64	Calculated Property
η	0.0002611	Pa×s	444.03	Calculated Property

Similar Compounds

Find more compounds similar to propyl hexanoate-d3.

Sources

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

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