- InChI
- InChI=1S/C13H20O5/c1-4-6-11(5-2)18-13(15)8-7-12(14)17-10-9-16-3/h11H,5,7-10H2,1-3H3
- InChI Key
- CSRSYWDFQYIKNQ-UHFFFAOYSA-N
- Formula
- C13H20O5
- SMILES
- CC#CC(CC)OC(=O)CCC(=O)OCCOC
- Molecular Weight1
- 256.29
- 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° | -313.90 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -666.45 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 35.79 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 67.02 | kJ/mol | Joback Calculated Property |
| log10WS | -1.98 | Crippen Calculated Property | |
| logPoct/wat | 1.301 | Crippen Calculated Property | |
| McVol | 206.180 | ml/mol | McGowan Calculated Property |
| Pc | 2023.58 | kPa | Joback Calculated Property |
| Inp | [1764.00; 1764.00] |
|
|
| Inp | 1764.00 | NIST | |
| Inp | 1764.00 | NIST | |
| Tboil | 680.40 | K | Joback Calculated Property |
| Tc | 875.40 | K | Joback Calculated Property |
| Tfus | 493.92 | K | Joback Calculated Property |
| Vc | 0.785 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [553.29; 629.41] | J/mol×K | [680.40; 875.40] |
|
| Cp,gas | 553.29 | J/mol×K | 680.40 | Joback Calculated Property |
| Cp,gas | 567.88 | J/mol×K | 712.90 | Joback Calculated Property |
| Cp,gas | 581.73 | J/mol×K | 745.40 | Joback Calculated Property |
| Cp,gas | 594.82 | J/mol×K | 777.90 | Joback Calculated Property |
| Cp,gas | 607.14 | J/mol×K | 810.40 | Joback Calculated Property |
| Cp,gas | 618.67 | J/mol×K | 842.90 | Joback Calculated Property |
| Cp,gas | 629.41 | J/mol×K | 875.40 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Succinic acid, hex-4-yn-3-yl 2-methoxyethyl ester.
Sources
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