- InChI
- InChI=1S/C8H12O4/c1-7(9)11-5-3-4-6-12-8(2)10/h3-4H,5-6H2,1-2H3/b4-3+
- InChI Key
- VZUAUHWZIKOMFC-ONEGZZNKSA-N
- Formula
- C8H12O4
- SMILES
- CC(=O)OCC=CCOC(C)=O
- Molecular Weight1
- 172.18
- CAS
- 18621-75-5
- Other Names
-
- 2-Buten-1,4-diol, diacetate
- 4-(Acetyloxy)-2-butenyl acetate
- 2-Butene-1,4-diol, 1,4-diacetate
- 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.
- 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° | -371.14 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -580.83 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 22.25 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 51.67 | kJ/mol | Joback Calculated Property |
| log10WS | -0.75 | Crippen Calculated Property | |
| logPoct/wat | 0.669 | Crippen Calculated Property | |
| McVol | 134.160 | ml/mol | McGowan Calculated Property |
| Pc | 2947.28 | kPa | Joback Calculated Property |
| Inp | 1253.00 | NIST | |
| Tboil | 539.18 | K | Joback Calculated Property |
| Tc | 730.81 | K | Joback Calculated Property |
| Tfus | 319.16 | K | Joback Calculated Property |
| Vc | 0.511 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [303.47; 362.20] | J/mol×K | [539.18; 730.81] | 
|
| Cp,gas | 303.47 | J/mol×K | 539.18 | Joback Calculated Property |
| Cp,gas | 314.43 | J/mol×K | 571.12 | Joback Calculated Property |
| Cp,gas | 324.91 | J/mol×K | 603.06 | Joback Calculated Property |
| Cp,gas | 334.94 | J/mol×K | 634.99 | Joback Calculated Property |
| Cp,gas | 344.49 | J/mol×K | 666.93 | Joback Calculated Property |
| Cp,gas | 353.58 | J/mol×K | 698.87 | Joback Calculated Property |
| Cp,gas | 362.20 | J/mol×K | 730.81 | Joback Calculated Property |
| η | [0.0001934; 0.0018749] | Pa×s | [319.16; 539.18] |
|
| η | 0.0018749 | Pa×s | 319.16 | Joback Calculated Property |
| η | 0.0010564 | Pa×s | 355.83 | Joback Calculated Property |
| η | 0.0006626 | Pa×s | 392.50 | Joback Calculated Property |
| η | 0.0004501 | Pa×s | 429.17 | Joback Calculated Property |
| η | 0.0003249 | Pa×s | 465.84 | Joback Calculated Property |
| η | 0.0002460 | Pa×s | 502.51 | Joback Calculated Property |
| η | 0.0001934 | Pa×s | 539.18 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to 2-Butene-1,4-diol, diacetate.
Sources
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