Chemical Properties of 3Z-hexenyl-d3 acetate

InChI

InChI=1S/C8H14O2/c1-3-4-5-6-7-10-8(2)9/h4-5H,3,6-7H2,1-2H3/b5-4-/i1D3

InChI Key

NPFVOOAXDOBMCE-OLODORCRSA-N

Formula

C8H14O2

SMILES

[2H]C([2H])([2H])C/C=C\CCOC(C)=O

Molecular Weight¹

145.22

• 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_fus : Normal melting (fusion) point (K).
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Cheméo can also estimate Critical Temperature, 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	[177.53; 409.58]	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			6.84300e+00
Coefficient B			7.29040e-01
Coefficient C			-4.00600e-04
Coefficient D			7.43000e-08
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	177.53	J/mol×K	273.00	Calculated Property
Cp,gas	217.91	J/mol×K	353.78	Calculated Property
Cp,gas	254.10	J/mol×K	434.56	Calculated Property
Cp,gas	286.32	J/mol×K	515.33	Calculated Property
Cp,gas	314.82	J/mol×K	596.11	Calculated Property
Cp,gas	339.82	J/mol×K	676.89	Calculated Property
Cp,gas	361.56	J/mol×K	757.67	Calculated Property
Cp,gas	380.28	J/mol×K	838.44	Calculated Property
Cp,gas	396.21	J/mol×K	919.22	Calculated Property
Cp,gas	409.58	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0059430; 0.0002158]	Pa×s	[217.17; 437.50]	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			-1.17088e+01
Coefficient B			1.42968e+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.			217.17
Temperature range, max.			437.50
η	0.0059430	Pa×s	217.17	Calculated Property
η	0.0030504	Pa×s	241.65	Calculated Property
η	0.0017701	Pa×s	266.13	Calculated Property
η	0.0011258	Pa×s	290.61	Calculated Property
η	0.0007682	Pa×s	315.10	Calculated Property
η	0.0005539	Pa×s	339.58	Calculated Property
η	0.0004173	Pa×s	364.06	Calculated Property
η	0.0003258	Pa×s	388.54	Calculated Property
η	0.0002620	Pa×s	413.02	Calculated Property
η	0.0002158	Pa×s	437.50	Calculated Property

Similar Compounds

Find more compounds similar to 3Z-hexenyl-d3 acetate.

Sources

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

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