Chemical Properties of (Z)-3-(Hydroxymethyl)-7-methylocta-2,6-dien-1-yl acetate

InChI

InChI=1S/C12H20O3/c1-10(2)5-4-6-12(9-13)7-8-15-11(3)14/h5,7,13H,4,6,8-9H2,1-3H3/b12-7-

InChI Key

YSJLKCJDEAYOME-GHXNOFRVSA-N

Formula

C12H20O3

SMILES

CC(=O)OCC=C(CO)CCC=C(C)C

Molecular Weight¹

212.29

• C_p,gas : Ideal gas heat capacity (J/mol×K).
• Δ_fH°_gas : Enthalpy of formation at standard conditions (kJ/mol).
• Δ_fusH° : Enthalpy of fusion at standard conditions (kJ/mol).
• logP_oct/wat : Octanol/Water partition coefficient.
• McVol : McGowan's characteristic volume (ml/mol).
• I_p : 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 vaporization at standard conditions, Standard Gibbs free energy of formation, Acentric Factor, Ionization energy, 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	[261.18; 603.49]	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			-5.06600e+00
Coefficient B			1.16286e+00
Coefficient C			-7.37000e-04
Coefficient D			1.82700e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	261.18	J/mol×K	273.00	Calculated Property
Cp,gas	322.18	J/mol×K	353.78	Calculated Property
Cp,gas	376.08	J/mol×K	434.56	Calculated Property
Cp,gas	423.47	J/mol×K	515.33	Calculated Property
Cp,gas	464.94	J/mol×K	596.11	Calculated Property
Cp,gas	501.05	J/mol×K	676.89	Calculated Property
Cp,gas	532.38	J/mol×K	757.67	Calculated Property
Cp,gas	559.51	J/mol×K	838.44	Calculated Property
Cp,gas	583.02	J/mol×K	919.22	Calculated Property
Cp,gas	603.49	J/mol×K	1000.00	Calculated Property

Similar Compounds

Find more compounds similar to (Z)-3-(Hydroxymethyl)-7-methylocta-2,6-dien-1-yl 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

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.
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