- InChI
- InChI=1S/C7H12O4/c1-5(11-6(2)8)4-7(9)10-3/h5H,4H2,1-3H3
- InChI Key
- GSQSJDKJUCRGGT-UHFFFAOYSA-N
- Formula
- C7H12O4
- SMILES
- COC(=O)CC(C)OC(C)=O
- Molecular Weight1
- 160.17
- CAS
- 89422-42-4
- Other Names
-
- methyl 3-acetoxybutyrate
- Methyl butanoate, 3-acetoxy
- Butanoic acid, 3-(acetyloxy)-, methyl 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).
- 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° | -462.22 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -682.69 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 15.94 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 49.10 | kJ/mol | Joback Calculated Property |
| log10WS | -0.59 | Crippen Calculated Property | |
| logPoct/wat | 0.501 | Crippen Calculated Property | |
| McVol | 124.370 | ml/mol | McGowan Calculated Property |
| Pc | 3121.00 | kPa | Joback Calculated Property |
| Inp | [1010.00; 1017.00] |
|
|
| Inp | 1011.00 | NIST | |
| Inp | 1016.00 | NIST | |
| Inp | 1017.00 | NIST | |
| Inp | 1010.00 | NIST | |
| I | [1529.00; 1563.00] |
|
|
| I | 1535.00 | NIST | |
| I | 1529.00 | NIST | |
| I | 1530.00 | NIST | |
| I | 1563.00 | NIST | |
| Tboil | 511.70 | K | Joback Calculated Property |
| Tc | 701.34 | K | Joback Calculated Property |
| Tfus | 297.97 | K | Joback Calculated Property |
| Vc | 0.469 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [278.59; 336.95] | J/mol×K | [511.70; 701.34] |
|
| Cp,gas | 278.59 | J/mol×K | 511.70 | Joback Calculated Property |
| Cp,gas | 289.32 | J/mol×K | 543.31 | Joback Calculated Property |
| Cp,gas | 299.65 | J/mol×K | 574.91 | Joback Calculated Property |
| Cp,gas | 309.59 | J/mol×K | 606.52 | Joback Calculated Property |
| Cp,gas | 319.13 | J/mol×K | 638.13 | Joback Calculated Property |
| Cp,gas | 328.25 | J/mol×K | 669.73 | Joback Calculated Property |
| Cp,gas | 336.95 | J/mol×K | 701.34 | Joback Calculated Property |
| η | [0.0002344; 0.0027013] | Pa×s | [297.97; 511.70] |
|
| η | 0.0027013 | Pa×s | 297.97 | Joback Calculated Property |
| η | 0.0014459 | Pa×s | 333.59 | Joback Calculated Property |
| η | 0.0008732 | Pa×s | 369.21 | Joback Calculated Property |
| η | 0.0005762 | Pa×s | 404.84 | Joback Calculated Property |
| η | 0.0004067 | Pa×s | 440.46 | Joback Calculated Property |
| η | 0.0003024 | Pa×s | 476.08 | Joback Calculated Property |
| η | 0.0002344 | Pa×s | 511.70 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to methyl 3-acetoxybutanoate.
Sources
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