- 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
- ω : Acentric Factor.
- Cp,gas : Ideal gas heat capacity (J/mol×K).
- ΔfG° : Standard Gibbs free energy of formation (kJ/mol).
- ΔfH°gas : Enthalpy of formation at standard conditions (kJ/mol).
- ΔfusH° : Enthalpy of fusion at standard conditions (kJ/mol).
- ΔvapH° : Enthalpy of vaporization at standard conditions (kJ/mol).
- IE : Ionization energy (eV).
- log10WS : Log10 of Water solubility in mol/l.
- logPoct/wat : Octanol/Water partition coefficient.
- McVol : McGowan's characteristic volume (ml/mol).
- Pc : Critical Pressure (kPa).
- Inp : Non-polar retention indices.
- Tboil : Normal Boiling Point Temperature (K).
- Tc : Critical Temperature (K).
- Tfus : Normal melting (fusion) point (K).
- Vc : Critical Volume (m3/kmol).
- 1: Molecular weight from the IUPAC atomic weights tables.
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Physical Properties
| Property | Value | Unit | Source |
|---|---|---|---|
| ω | 0.6116 | Relay (... Calculated Property | |
| ΔfG° | -257.50 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -798.32 | kJ/mol | Relay (... Calculated Property |
| ΔfusH° | 35.37 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 83.74 | kJ/mol | Relay (... Calculated Property |
| IE | 8.49 | eV | Relay (... Calculated Property |
| log10WS | -3.14 | Relay (... Calculated Property | |
| logPoct/wat | 2.785 | Crippen Calculated Property | |
| McVol | 214.400 | ml/mol | McGowan Calculated Property |
| Pc | 1801.56 | kPa | Joback Calculated Property |
| Inp | [1740.60; 1740.60] |
|
|
| Inp | 1740.60 | NIST | |
| Inp | 1740.60 | NIST | |
| Tboil | 557.19 | K | Relay (... Calculated Property |
| Tc | 719.43 | K | Relay (... Calculated Property |
| Tfus | 246.96 | K | Relay (... Calculated Property |
| Vc | 0.773 | m3/kmol | Relay (... Calculated Property |
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
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