- InChI
- InChI=1S/C7H12O4/c1-5(11-7(3)9)4-10-6(2)8/h5H,4H2,1-3H3
- InChI Key
- MLHOXUWWKVQEJB-UHFFFAOYSA-N
- Formula
- C7H12O4
- SMILES
- CC(=O)OCC(C)OC(C)=O
- Molecular Weight1
- 160.17
- Other Names
-
- 1,2-Diacetoxypropane
- Methylethylene acetate
- Methylethylene diacetate
- Propylene acetate
- Propylene diacetate
- 1,2-Propylene diacetate
- Propylene glycol diacetate
- «alpha»-Propylene glycol diacetate
- 1,2-Propylene glycol diacetate
- Propane-1,2-diol diacetate
- 1,2-Propanediol, 1,2-diacetate
- NSC 75843
- 2-(Acetyloxy)-1-methylethyl acetate
- propane-1,2-diyl diacetate
- ω : Acentric Factor.
- 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).
- ΔvapH : Enthalpy of vaporization at a given temperature (kJ/mol).
- IE : Ionization energy (eV).
- 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).
- 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 |
|---|---|---|---|
| ω | 0.5265 | Relay (1.0) Calculated Property | |
| ΔfG° | -615.12 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -839.87 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 19.10 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 66.06 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 9.86 | eV | Relay (1.0) Calculated Property |
| log10WS | -0.62 | Relay (1.0) Calculated Property | |
| logPoct/wat | 0.501 | Crippen Calculated Property | |
| McVol | 124.370 | ml/mol | McGowan Calculated Property |
| Pc | 2853.57 | kPa | Joback Calculated Property |
| Inp | [996.00; 1018.50] |
|
|
| Inp | 1000.00 | NIST | |
| Inp | 997.00 | NIST | |
| Inp | 999.00 | NIST | |
| Inp | 1000.00 | NIST | |
| Inp | 998.00 | NIST | |
| Inp | 999.00 | NIST | |
| Inp | 1002.00 | NIST | |
| Inp | 996.00 | NIST | |
| Inp | 996.00 | NIST | |
| Inp | 998.00 | NIST | |
| Inp | 1001.00 | NIST | |
| Inp | 996.00 | NIST | |
| Inp | Outlier 1018.50 | NIST | |
| I | [1496.00; 1545.00] |
|
|
| I | 1545.00 | NIST | |
| I | 1496.00 | NIST | |
| I | 1496.00 | NIST | |
| Tboil | 463.70 | K | NIST |
| Tc | 621.34 | K | Relay (1.0) Calculated Property |
| Tfus | 247.35 | K | Relay (1.0) Calculated Property |
| Vc | 0.483 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [271.25; 331.76] | J/mol×K | [475.76; 659.39] |
|
| Cp,gas | 271.25 | J/mol×K | 475.76 | Joback Calculated Property |
| Cp,gas | 282.46 | J/mol×K | 506.37 | Joback Calculated Property |
| Cp,gas | 293.23 | J/mol×K | 536.97 | Joback Calculated Property |
| Cp,gas | 303.56 | J/mol×K | 567.58 | Joback Calculated Property |
| Cp,gas | 313.42 | J/mol×K | 598.18 | Joback Calculated Property |
| Cp,gas | 322.83 | J/mol×K | 628.79 | Joback Calculated Property |
| Cp,gas | 331.76 | J/mol×K | 659.39 | Joback Calculated Property |
| η | [0.0002094; 0.0088363] | Pa×s | [238.31; 475.76] |
|
| η | 0.0088363 | Pa×s | 238.31 | Joback Calculated Property |
| η | 0.0030376 | Pa×s | 277.88 | Joback Calculated Property |
| η | 0.0013627 | Pa×s | 317.46 | Joback Calculated Property |
| η | 0.0007302 | Pa×s | 357.03 | Joback Calculated Property |
| η | 0.0004432 | Pa×s | 396.61 | Joback Calculated Property |
| η | 0.0002945 | Pa×s | 436.18 | Joback Calculated Property |
| η | 0.0002094 | Pa×s | 475.76 | Joback Calculated Property |
| ΔvapH | 54.90 | kJ/mol | 342.50 | NIST |
Pressure Dependent Properties
| Property | Value | Unit | Pressure (kPa) | Source |
|---|---|---|---|---|
| Tboilr | 364.50 ± 0.50 | K | 2.40 | NIST |
Similar Compounds
Find more compounds similar to 1,2-Propanediol, diacetate.
Sources
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