- InChI
- InChI=1S/C14H20O4/c1-10(2)6-7-13(8-11(3)4)18-14(16)9-17-12(5)15/h11,13H,1,8-9H2,2-5H3
- InChI Key
- AFGKYZOSXBFLGK-UHFFFAOYSA-N
- Formula
- C14H20O4
- SMILES
-
C=C(C)C#CC(CC(C)C)OC(=O)COC(C)
=O - Molecular Weight1
- 252.31
- 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).
- 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 |
|---|---|---|---|
| ΔfG° | -123.63 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -444.51 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 31.08 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 65.86 | kJ/mol | Joback Calculated Property |
| log10WS | -2.93 | Crippen Calculated Property | |
| logPoct/wat | 2.087 | Crippen Calculated Property | |
| McVol | 210.100 | ml/mol | McGowan Calculated Property |
| Pc | 1980.59 | kPa | Joback Calculated Property |
| Inp | [1539.00; 1539.00] |
|
|
| Inp | 1539.00 | NIST | |
| Inp | 1539.00 | NIST | |
| Tboil | 676.98 | K | Joback Calculated Property |
| Tc | 880.47 | K | Joback Calculated Property |
| Tfus | 452.24 | K | Joback Calculated Property |
| Vc | 0.799 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [556.11; 635.09] | J/mol×K | [676.98; 880.47] |
|
| Cp,gas | 556.11 | J/mol×K | 676.98 | Joback Calculated Property |
| Cp,gas | 571.35 | J/mol×K | 710.89 | Joback Calculated Property |
| Cp,gas | 585.75 | J/mol×K | 744.81 | Joback Calculated Property |
| Cp,gas | 599.32 | J/mol×K | 778.72 | Joback Calculated Property |
| Cp,gas | 612.07 | J/mol×K | 812.64 | Joback Calculated Property |
| Cp,gas | 623.99 | J/mol×K | 846.55 | Joback Calculated Property |
| Cp,gas | 635.09 | J/mol×K | 880.47 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Acetoxyacetic acid, 2,7-dimethyloct-7-en-5-yn-4-yl ester.
Sources
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