- InChI
- InChI=1S/C17H28O4/c1-3-4-5-6-7-8-9-10-11-12-13-14-20-17(19)15-21-16(2)18/h3-11,14-15H2,1-2H3
- InChI Key
- WVTRWCMTBOKAFL-UHFFFAOYSA-N
- Formula
- C17H28O4
- SMILES
- CCCCCCCCCCC#CCOC(=O)COC(C)=O
- Molecular Weight1
- 296.40
- 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° | -172.78 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -611.51 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 48.48 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 73.90 | kJ/mol | Joback Calculated Property |
| log10WS | -4.46 | Crippen Calculated Property | |
| logPoct/wat | 3.627 | Crippen Calculated Property | |
| McVol | 256.670 | ml/mol | McGowan Calculated Property |
| Pc | 1481.57 | kPa | Joback Calculated Property |
| Inp | [2051.00; 2051.00] |
|
|
| Inp | 2051.00 | NIST | |
| Inp | 2051.00 | NIST | |
| Tboil | 749.94 | K | Joback Calculated Property |
| Tc | 938.40 | K | Joback Calculated Property |
| Tfus | 531.77 | K | Joback Calculated Property |
| Vc | 0.998 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [744.48; 829.28] | J/mol×K | [749.94; 938.40] |
|
| Cp,gas | 744.48 | J/mol×K | 749.94 | Joback Calculated Property |
| Cp,gas | 760.80 | J/mol×K | 781.35 | Joback Calculated Property |
| Cp,gas | 776.24 | J/mol×K | 812.76 | Joback Calculated Property |
| Cp,gas | 790.80 | J/mol×K | 844.17 | Joback Calculated Property |
| Cp,gas | 804.49 | J/mol×K | 875.58 | Joback Calculated Property |
| Cp,gas | 817.31 | J/mol×K | 906.99 | Joback Calculated Property |
| Cp,gas | 829.28 | J/mol×K | 938.40 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Acetoxyacetic acid, tridec-2-ynyl ester.
Sources
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