Chemical Properties of 1,5-Hexadien-3-ol, acetate

InChI

InChI=1S/C8H12O2/c1-4-6-8(5-2)10-7(3)9/h4-5,8H,1-2,6H2,3H3

InChI Key

SUXVUJGAKOEPSL-UHFFFAOYSA-N

Formula

C8H12O2

SMILES

C=CCC(C=C)OC(C)=O

Molecular Weight¹

140.18

• C_p,gas : Ideal gas heat capacity (J/mol×K).
• η : Dynamic viscosity (Pa×s).
• Δ_fusH° : Enthalpy of fusion at standard conditions (kJ/mol).
• IE : Ionization energy (eV).
• logP_oct/wat : Octanol/Water partition coefficient.
• McVol : McGowan's characteristic volume (ml/mol).
• I_np : Non-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 Pressure, Critical Volume, Enthalpy of formation at standard conditions, Enthalpy of vaporization at standard conditions, Standard Gibbs free energy of formation, Acentric Factor, Log10 of Water solubility in mol/l 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	[171.60; 383.68]	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			1.33610e+01
Coefficient B			6.74920e-01
Coefficient C			-3.65800e-04
Coefficient D			6.12000e-08
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	171.60	J/mol×K	273.00	Calculated Property
Cp,gas	209.06	J/mol×K	353.78	Calculated Property
Cp,gas	242.60	J/mol×K	434.56	Calculated Property
Cp,gas	272.40	J/mol×K	515.33	Calculated Property
Cp,gas	298.67	J/mol×K	596.11	Calculated Property
Cp,gas	321.59	J/mol×K	676.89	Calculated Property
Cp,gas	341.35	J/mol×K	757.67	Calculated Property
Cp,gas	358.16	J/mol×K	838.44	Calculated Property
Cp,gas	372.21	J/mol×K	919.22	Calculated Property
Cp,gas	383.68	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0079233; 0.0002329]	Pa×s	[203.73; 431.62]	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			-1.15181e+01
Coefficient B			1.36094e+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.			203.73
Temperature range, max.			431.62
η	0.0079233	Pa×s	203.73	Calculated Property
η	0.0037861	Pa×s	229.05	Calculated Property
η	0.0020957	Pa×s	254.37	Calculated Property
η	0.0012912	Pa×s	279.69	Calculated Property
η	0.0008621	Pa×s	305.01	Calculated Property
η	0.0006124	Pa×s	330.33	Calculated Property
η	0.0004567	Pa×s	355.66	Calculated Property
η	0.0003541	Pa×s	380.98	Calculated Property
η	0.0002835	Pa×s	406.30	Calculated Property
η	0.0002329	Pa×s	431.62	Calculated Property

Similar Compounds

Find more compounds similar to 1,5-Hexadien-3-ol, acetate.

Sources

• Cheméo Relay (1.0)
• Cheméo Relay (1.0, beta) Beta: served but experimental, data-limited and below our cross-validation release bar; the Joback value is recommended where available.
• Crippen Method
• Crippen Method
• Joback Method
• McGowan Method
• NIST Webbook

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