Chemical Properties of 2,7-Octadien-1-ol, acetate, (E)- (CAS 30460-73-2)

InChI

InChI=1S/C10H16O2/c1-3-4-5-6-7-8-9-12-10(2)11/h3,7-8H,1,4-6,9H2,2H3/b8-7+

InChI Key

RDOHPVPONNHSPH-BQYQJAHWSA-N

Formula

C10H16O2

SMILES

C=CCCCC=CCOC(C)=O

Molecular Weight¹

168.23

CAS

30460-73-2

Other Names

• (2E)-2,7-Octadienyl acetate
• (E)-2,7-Octadien-1-yl acetate

• 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).
• Δ_vapH° : Enthalpy of vaporization 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).
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Cheméo can also estimate Normal melting (fusion) point, Critical Temperature, Critical Pressure, Critical Volume, Enthalpy of formation 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	[210.14; 484.25]	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			2.03400e+00
Coefficient B			8.99020e-01
Coefficient C			-5.32300e-04
Coefficient D			1.15500e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	210.14	J/mol×K	273.00	Calculated Property
Cp,gas	258.58	J/mol×K	353.78	Calculated Property
Cp,gas	301.67	J/mol×K	434.56	Calculated Property
Cp,gas	339.77	J/mol×K	515.33	Calculated Property
Cp,gas	373.26	J/mol×K	596.11	Calculated Property
Cp,gas	402.50	J/mol×K	676.89	Calculated Property
Cp,gas	427.86	J/mol×K	757.67	Calculated Property
Cp,gas	449.69	J/mol×K	838.44	Calculated Property
Cp,gas	468.37	J/mol×K	919.22	Calculated Property
Cp,gas	484.25	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0050080; 0.0002033]	Pa×s	[237.95; 467.45]	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			-1.18226e+01
Coefficient B			1.55284e+03
Coefficient C			0.00000e+00
Coefficient D			0.00000e+00
Coefficient E			0.00000e+00
Temperature range, min.			237.95
Temperature range, max.			467.45
η	0.0050080	Pa×s	237.95	Calculated Property
η	0.0026628	Pa×s	263.45	Calculated Property
η	0.0015828	Pa×s	288.95	Calculated Property
η	0.0010236	Pa×s	314.45	Calculated Property
η	0.0007068	Pa×s	339.95	Calculated Property
η	0.0005139	Pa×s	365.45	Calculated Property
η	0.0003895	Pa×s	390.95	Calculated Property
η	0.0003054	Pa×s	416.45	Calculated Property
η	0.0002463	Pa×s	441.95	Calculated Property
η	0.0002033	Pa×s	467.45	Calculated Property

Similar Compounds

Find more compounds similar to 2,7-Octadien-1-ol, acetate, (E)-.

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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