- InChI
- InChI=1S/C7H12O5/c1-5(9)11-4-7(3-8)12-6(2)10/h7-8H,3-4H2,1-2H3
- InChI Key
- UXDDRFCJKNROTO-UHFFFAOYSA-N
- Formula
- C7H12O5
- SMILES
- CC(=O)OCC(CO)OC(C)=O
- Molecular Weight1
- 176.17
- CAS
- 25395-31-7
- Other Names
-
- glycerol 1,3-di(acetate)
- ΔcH°liquid : Standard liquid enthalpy of combustion (kJ/mol).
- 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).
- ΔfH°liquid : Liquid phase 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 |
|---|---|---|---|
| ΔcH°liquid | -3348.90 ± 6.70 | kJ/mol | NIST |
| ΔfG° | -599.04 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -834.92 | kJ/mol | Joback Calculated Property |
| ΔfH°liquid | -1120.70 ± 6.70 | kJ/mol | NIST |
| ΔfusH° | 20.03 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 65.78 | kJ/mol | Joback Calculated Property |
| log10WS | 0.15 | Crippen Calculated Property | |
| logPoct/wat | -0.527 | Crippen Calculated Property | |
| McVol | 130.240 | ml/mol | McGowan Calculated Property |
| Pc | 3468.36 | kPa | Joback Calculated Property |
| Inp | [1230.00; 1230.00] |
|
|
| Inp | 1230.00 | NIST | |
| Inp | 1230.00 | NIST | |
| I | [2244.00; 2299.00] |
|
|
| I | 2299.00 | NIST | |
| I | 2244.00 | NIST | |
| I | 2299.00 | NIST | |
| I | 2244.00 | NIST | |
| Tboil | 603.88 | K | Joback Calculated Property |
| Tc | 784.28 | K | Joback Calculated Property |
| Tfus | 358.79 | K | Joback Calculated Property |
| Vc | 0.488 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [325.66; 375.62] | J/mol×K | [603.88; 784.28] |
|
| Cp,gas | 325.66 | J/mol×K | 603.88 | Joback Calculated Property |
| Cp,gas | 335.00 | J/mol×K | 633.95 | Joback Calculated Property |
| Cp,gas | 343.95 | J/mol×K | 664.01 | Joback Calculated Property |
| Cp,gas | 352.49 | J/mol×K | 694.08 | Joback Calculated Property |
| Cp,gas | 360.63 | J/mol×K | 724.15 | Joback Calculated Property |
| Cp,gas | 368.34 | J/mol×K | 754.22 | Joback Calculated Property |
| Cp,gas | 375.62 | J/mol×K | 784.28 | Joback Calculated Property |
| η | [0.0000769; 0.0038673] | Pa×s | [358.79; 603.88] |
|
| η | 0.0038673 | Pa×s | 358.79 | Joback Calculated Property |
| η | 0.0014417 | Pa×s | 399.64 | Joback Calculated Property |
| η | 0.0006454 | Pa×s | 440.49 | Joback Calculated Property |
| η | 0.0003312 | Pa×s | 481.34 | Joback Calculated Property |
| η | 0.0001886 | Pa×s | 522.18 | Joback Calculated Property |
| η | 0.0001166 | Pa×s | 563.03 | Joback Calculated Property |
| η | 0.0000769 | Pa×s | 603.88 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to 1,2,3 propanetriol diacetate.
Sources
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