Chemical Properties of 2,6-Dimethyl-2,6-octadiene-1,8-diol diacetate (CAS 36052-53-6)

InChI

InChI=1S/C14H22O4/c1-11(8-9-17-13(3)15)6-5-7-12(2)10-18-14(4)16/h7-8H,5-6,9-10H2,1-4H3/b11-8+,12-7+

InChI Key

PJAHPEXZNWUNLF-NFLJZBCPSA-N

Formula

C14H22O4

SMILES

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

Molecular Weight¹

254.32

CAS

36052-53-6

Other Names

• Octa-2,6-diene, 1,8-diacetoxy-2,6-dimethyl-
• (2E,6E)-2,6-Dimethylocta-2,6-diene-1,8-diyl diacetate

• C_p,gas : Ideal gas heat capacity (J/mol×K).
• 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).
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Property	Value	Unit	Source
ΔfusH°	35.37	kJ/mol	Joback Calculated Property
IE	8.49	eV	Relay (1.0) Calculated Property
logPoct/wat	2.785		Crippen Calculated Property
McVol	214.400	ml/mol	McGowan Calculated Property
Inp	[1740.60; 1740.60]
Inp	1740.60		NIST
Inp	1740.60		NIST
Tboil	557.19	K	Relay (1.0) Calculated Property

Cheméo can also estimate Normal melting (fusion) point, 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.

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[577.21; 655.92]	J/mol×K	[680.38; 872.22]
Cp,gas	577.21	J/mol×K	680.38	Joback Calculated Property
Cp,gas	592.19	J/mol×K	712.35	Joback Calculated Property
Cp,gas	606.40	J/mol×K	744.33	Joback Calculated Property
Cp,gas	619.85	J/mol×K	776.30	Joback Calculated Property
Cp,gas	632.57	J/mol×K	808.27	Joback Calculated Property
Cp,gas	644.59	J/mol×K	840.24	Joback Calculated Property
Cp,gas	655.92	J/mol×K	872.22	Joback Calculated Property

Similar Compounds

Find more compounds similar to 2,6-Dimethyl-2,6-octadiene-1,8-diol diacetate.

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.
These property values are available through the Cheméo API. A free account gives you an access key.