Chemical Properties of hexyl hexanoate-d11

InChI

InChI=1S/C12H24O2/c1-3-5-7-9-11-14-12(13)10-8-6-4-2/h3-11H2,1-2H3/i2D3,4D2,6D2,8D2,10D2

InChI Key

NCDCLPBOMHPFCV-WUVLYGMHSA-N

Formula

C12H24O2

SMILES

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

Molecular Weight¹

211.39

• 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 : 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, 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	[276.38; 646.53]	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			1.73890e+01
Coefficient B			1.08904e+00
Coefficient C			-5.34400e-04
Coefficient D			7.45000e-08
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	276.38	J/mol×K	273.00	Calculated Property
Cp,gas	339.08	J/mol×K	353.78	Calculated Property
Cp,gas	395.84	J/mol×K	434.56	Calculated Property
Cp,gas	446.88	J/mol×K	515.33	Calculated Property
Cp,gas	492.46	J/mol×K	596.11	Calculated Property
Cp,gas	532.80	J/mol×K	676.89	Calculated Property
Cp,gas	568.14	J/mol×K	757.67	Calculated Property
Cp,gas	598.72	J/mol×K	838.44	Calculated Property
Cp,gas	624.77	J/mol×K	919.22	Calculated Property
Cp,gas	646.53	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0055302; 0.0002471]	Pa×s	[267.33; 489.67]	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			-1.20433e+01
Coefficient B			1.83008e+03
Coefficient C			0.00000e+00
Coefficient D			0.00000e+00
Coefficient E			0.00000e+00
Temperature range, min.			267.33
Temperature range, max.			489.67
η	0.0055302	Pa×s	267.33	Calculated Property
η	0.0030991	Pa×s	292.03	Calculated Property
η	0.0019010	Pa×s	316.74	Calculated Property
η	0.0012515	Pa×s	341.44	Calculated Property
η	0.0008717	Pa×s	366.15	Calculated Property
η	0.0006356	Pa×s	390.85	Calculated Property
η	0.0004811	Pa×s	415.55	Calculated Property
η	0.0003758	Pa×s	440.26	Calculated Property
η	0.0003013	Pa×s	464.96	Calculated Property
η	0.0002471	Pa×s	489.67	Calculated Property

Similar Compounds

Find more compounds similar to hexyl hexanoate-d11.

Sources

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

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