- InChI
- InChI=1S/C7H12O4/c1-6(8)10-4-3-5-11-7(2)9/h3-5H2,1-2H3
- InChI Key
- DSVGICPKBRQDDX-UHFFFAOYSA-N
- Formula
- C7H12O4
- SMILES
- CC(=O)OCCCOC(C)=O
- Molecular Weight1
- 160.17
- CAS
- 628-66-0
- Other Names
-
- Trimethylene acetate
- 1,3-Diacetoxypropane
- 1,3-Propylene diacetate
- 1,3-Propylene glycol diacetate
- Diacetate of 1,3-propanediol
- 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).
- Inp : Non-polar retention indices.
- I : 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° | -459.78 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -677.41 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 19.46 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 49.49 | kJ/mol | Joback Calculated Property |
| log10WS | -0.48 | Crippen Calculated Property | |
| logPoct/wat | 0.503 | Crippen Calculated Property | |
| McVol | 124.370 | ml/mol | McGowan Calculated Property |
| Pc | 3093.29 | kPa | Joback Calculated Property |
| Inp | [1089.00; 1089.00] |
|
|
| Inp | 1089.00 | NIST | |
| Inp | 1089.00 | NIST | |
| I | [1650.00; 1660.00] |
|
|
| I | 1660.00 | NIST | |
| I | 1655.00 | NIST | |
| I | 1650.00 | NIST | |
| I | 1650.00 | NIST | |
| I | 1660.00 | NIST | |
| Tboil | [482.50; 482.70] | K |
|
| Tboil | 482.70 | K | NIST |
| Tboil | 482.50 ± 0.50 | K | NIST |
| Tc | 697.87 | K | Joback Calculated Property |
| Tfus | 312.97 | K | Joback Calculated Property |
| Vc | 0.475 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [278.30; 335.29] | J/mol×K | [512.14; 697.87] |
|
| Cp,gas | 278.30 | J/mol×K | 512.14 | Joback Calculated Property |
| Cp,gas | 288.74 | J/mol×K | 543.09 | Joback Calculated Property |
| Cp,gas | 298.81 | J/mol×K | 574.05 | Joback Calculated Property |
| Cp,gas | 308.51 | J/mol×K | 605.00 | Joback Calculated Property |
| Cp,gas | 317.83 | J/mol×K | 635.96 | Joback Calculated Property |
| Cp,gas | 326.76 | J/mol×K | 666.91 | Joback Calculated Property |
| Cp,gas | 335.29 | J/mol×K | 697.87 | Joback Calculated Property |
| η | [0.0002482; 0.0020676] | Pa×s | [312.97; 512.14] |
|
| η | 0.0020676 | Pa×s | 312.97 | Joback Calculated Property |
| η | 0.0012258 | Pa×s | 346.17 | Joback Calculated Property |
| η | 0.0007964 | Pa×s | 379.36 | Joback Calculated Property |
| η | 0.0005546 | Pa×s | 412.56 | Joback Calculated Property |
| η | 0.0004076 | Pa×s | 445.75 | Joback Calculated Property |
| η | 0.0003126 | Pa×s | 478.94 | Joback Calculated Property |
| η | 0.0002482 | Pa×s | 512.14 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to 1,3-Propanediol, diacetate.
Sources
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