- InChI
- InChI=1S/C10H16O5/c1-4-14-9(12)6-8(7(3)11)10(13)15-5-2/h8H,4-6H2,1-3H3
- InChI Key
- DVSDDICSXBCMQJ-UHFFFAOYSA-N
- Formula
- C10H16O5
- SMILES
- CCOC(=O)CC(C(C)=O)C(=O)OCC
- Molecular Weight1
- 216.23
- CAS
- 1115-30-6
- Other Names
-
- Diethyl acetylsuccinate
- Acetylsuccinic acid diethyl ester
- Diethyl acetosuccinate
- Diethyl 2-acetylsuccinate
- Ethyl acetylsuccinate
- Succinic acid, acetyl-, diethyl ester
- Cp,gas : Ideal gas heat capacity (J/mol×K).
- η : Dynamic viscosity (Pa×s).
- 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).
- Tboil : Normal Boiling Point Temperature (K).
- Tboilr : Boiling point at reduced pressure (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° | -565.88 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -857.19 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 25.31 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 62.52 | kJ/mol | Joback Calculated Property |
| log10WS | -0.77 | Crippen Calculated Property | |
| logPoct/wat | 0.708 | Crippen Calculated Property | |
| McVol | 168.210 | ml/mol | McGowan Calculated Property |
| Pc | 2462.92 | kPa | Joback Calculated Property |
| Tboil | [528.00; 528.20] | K |
|
| Tboil | 528.20 | K | NIST |
| Tboil | 528.00 ± 1.00 | K | NIST |
| Tc | 825.12 | K | Joback Calculated Property |
| Tfus | 381.71 | K | Joback Calculated Property |
| Vc | 0.643 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [434.27; 499.97] | J/mol×K | [634.21; 825.12] |
|
| Cp,gas | 434.27 | J/mol×K | 634.21 | Joback Calculated Property |
| Cp,gas | 446.78 | J/mol×K | 666.03 | Joback Calculated Property |
| Cp,gas | 458.67 | J/mol×K | 697.85 | Joback Calculated Property |
| Cp,gas | 469.95 | J/mol×K | 729.67 | Joback Calculated Property |
| Cp,gas | 480.59 | J/mol×K | 761.48 | Joback Calculated Property |
| Cp,gas | 490.60 | J/mol×K | 793.30 | Joback Calculated Property |
| Cp,gas | 499.97 | J/mol×K | 825.12 | Joback Calculated Property |
| η | [0.0001784; 0.0019096] | Pa×s | [381.71; 634.21] |
|
| η | 0.0019096 | Pa×s | 381.71 | Joback Calculated Property |
| η | 0.0010572 | Pa×s | 423.79 | Joback Calculated Property |
| η | 0.0006513 | Pa×s | 465.88 | Joback Calculated Property |
| η | 0.0004348 | Pa×s | 507.96 | Joback Calculated Property |
| η | 0.0003088 | Pa×s | 550.04 | Joback Calculated Property |
| η | 0.0002302 | Pa×s | 592.13 | Joback Calculated Property |
| η | 0.0001784 | Pa×s | 634.21 | Joback Calculated Property |
Pressure Dependent Properties
| Property | Value | Unit | Pressure (kPa) | Source |
|---|---|---|---|---|
| Tboilr | [414.00; 454.70] | K | [2.00; 6.70] |
|
| Tboilr | 414.00 ± 1.00 | K | 2.00 | NIST |
| Tboilr | 454.70 | K | 6.70 | NIST |
Similar Compounds
Find more compounds similar to Butanedioic acid, acetyl-, diethyl ester.
Sources
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