Chemical Properties of 2E-hexenyl-d3 hexanoate

InChI

InChI=1S/C12H22O2/c1-3-5-7-9-11-14-12(13)10-8-6-4-2/h7,9H,3-6,8,10-11H2,1-2H3/b9-7+/i1D3

InChI Key

UQPLEMTXCSYMEK-WSGLDHPBSA-N

Formula

C12H22O2

SMILES

[2H]C([2H])([2H])CC/C=C/COC(=O)CCCCC

Molecular Weight¹

201.32

• 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_p : 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	[262.38; 615.95]	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			3.20700e+00
Coefficient B			1.10904e+00
Coefficient C			-6.18200e-04
Coefficient D			1.21900e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	262.38	J/mol×K	273.00	Calculated Property
Cp,gas	323.59	J/mol×K	353.78	Calculated Property
Cp,gas	378.41	J/mol×K	434.56	Calculated Property
Cp,gas	427.24	J/mol×K	515.33	Calculated Property
Cp,gas	470.46	J/mol×K	596.11	Calculated Property
Cp,gas	508.46	J/mol×K	676.89	Calculated Property
Cp,gas	541.63	J/mol×K	757.67	Calculated Property
Cp,gas	570.34	J/mol×K	838.44	Calculated Property
Cp,gas	594.98	J/mol×K	919.22	Calculated Property
Cp,gas	615.95	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0050402; 0.0001944]	Pa×s	[262.25; 497.29]	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			-1.21781e+01
Coefficient B			1.80632e+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.			262.25
Temperature range, max.			497.29
η	0.0050402	Pa×s	262.25	Calculated Property
η	0.0027011	Pa×s	288.37	Calculated Property
η	0.0016056	Pa×s	314.48	Calculated Property
η	0.0010336	Pa×s	340.60	Calculated Property
η	0.0007085	Pa×s	366.71	Calculated Property
η	0.0005107	Pa×s	392.83	Calculated Property
η	0.0003834	Pa×s	418.94	Calculated Property
η	0.0002977	Pa×s	445.06	Calculated Property
η	0.0002377	Pa×s	471.17	Calculated Property
η	0.0001944	Pa×s	497.29	Calculated Property

Similar Compounds

Find more compounds similar to 2E-hexenyl-d3 hexanoate.

Sources

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

Note: Cheméo is only indexing the data, follow the source links to retrieve the latest data. The source is also providing more information like the publication year, authors and more. Take the time to validate and double check the source of the data.
Calculated This icon marks a calculated value or equation: a prediction, not a measurement.
These property values are available through the Cheméo API. A free account gives you an access key.