- InChI
- InChI=1S/C7H10O4/c1-4-7(10-5(2)8)11-6(3)9/h4,7H,1H2,2-3H3
- InChI Key
- TXECTBGVEUDNSL-UHFFFAOYSA-N
- Formula
- C7H10O4
- SMILES
- C=CC(OC(C)=O)OC(C)=O
- Molecular Weight1
- 158.15
- CAS
- 869-29-4
- Other Names
-
- Acrolein, diacetate
- Allylidene acetate
- Allylidene diacetate
- Diacetoxypropene
- Shell SD 345
- SD 345 (Ester)
- SD-345
- 1,1-Diacetoxy-2-propene
- Acrolein diacetyl acetal
- Acrolein hydrate diacetate
- Acrolein, monohydrate, diacetate
- Shell 345
- 1,1-Diacetoxypropene-2
- 3,3-Diacetoxypropene
- 2-Propenal, monohydrate, diacetate
- Acetic acid 1-acetoxy-allyl ester
- 3,3-Diacetoxy-1-propene
- NSC 45020
- NSC 7632
- 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).
- 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° | -374.38 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -557.26 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 14.66 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 48.43 | kJ/mol | Joback Calculated Property |
| log10WS | -0.94 | Crippen Calculated Property | |
| logPoct/wat | 0.625 | Crippen Calculated Property | |
| McVol | 120.070 | ml/mol | McGowan Calculated Property |
| Pc | 3272.78 | kPa | Joback Calculated Property |
| Tboil | 457.20 | K | NIST |
| Tc | 701.86 | K | Joback Calculated Property |
| Tfus | 235.55 | K | NIST |
| Vc | 0.451 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [260.65; 314.78] | J/mol×K | [508.38; 701.86] | 
|
| Cp,gas | 260.65 | J/mol×K | 508.38 | Joback Calculated Property |
| Cp,gas | 270.66 | J/mol×K | 540.63 | Joback Calculated Property |
| Cp,gas | 280.29 | J/mol×K | 572.87 | Joback Calculated Property |
| Cp,gas | 289.53 | J/mol×K | 605.12 | Joback Calculated Property |
| Cp,gas | 298.36 | J/mol×K | 637.37 | Joback Calculated Property |
| Cp,gas | 306.78 | J/mol×K | 669.62 | Joback Calculated Property |
| Cp,gas | 314.78 | J/mol×K | 701.86 | Joback Calculated Property |
| η | [0.0002387; 0.0025417] | Pa×s | [296.21; 508.38] |
|
| η | 0.0025417 | Pa×s | 296.21 | Joback Calculated Property |
| η | 0.0013888 | Pa×s | 331.57 | Joback Calculated Property |
| η | 0.0008526 | Pa×s | 366.93 | Joback Calculated Property |
| η | 0.0005703 | Pa×s | 402.30 | Joback Calculated Property |
| η | 0.0004070 | Pa×s | 437.66 | Joback Calculated Property |
| η | 0.0003056 | Pa×s | 473.02 | Joback Calculated Property |
| η | 0.0002387 | Pa×s | 508.38 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to 2-Propene-1,1-diol, diacetate.
Sources
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