- 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
- 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).
- 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.
- 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 |
|---|---|---|---|
| ω | 0.5136 | Relay (1.0) Calculated Property | |
| ΔfG° | -524.04 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -752.36 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 25.42 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 68.13 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 9.28 | eV | Relay (1.0) Calculated Property |
| log10WS | -1.32 | Relay (1.0) Calculated Property | |
| logPoct/wat | 0.669 | Crippen Calculated Property | |
| McVol | 134.160 | ml/mol | McGowan Calculated Property |
| Pc | 2701.41 | kPa | Joback Calculated Property |
| Inp | [1253.00; 1253.00] |
|
|
| Inp | 1253.00 | NIST | |
| Inp | 1253.00 | NIST | |
| Tboil | 491.47 | K | Relay (1.0) Calculated Property |
| Tc | 650.90 | K | Relay (1.0) Calculated Property |
| Tfus | 258.57 | K | Relay (1.0) Calculated Property |
| Vc | 0.502 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [296.25; 357.25] | J/mol×K | [503.24; 689.30] |
|
| Cp,gas | 296.25 | J/mol×K | 503.24 | Joback Calculated Property |
| Cp,gas | 307.75 | J/mol×K | 534.25 | Joback Calculated Property |
| Cp,gas | 318.71 | J/mol×K | 565.26 | Joback Calculated Property |
| Cp,gas | 329.13 | J/mol×K | 596.27 | Joback Calculated Property |
| Cp,gas | 339.03 | J/mol×K | 627.28 | Joback Calculated Property |
| Cp,gas | 348.40 | J/mol×K | 658.29 | Joback Calculated Property |
| Cp,gas | 357.25 | J/mol×K | 689.30 | Joback Calculated Property |
| η | [0.0001682; 0.0050202] | Pa×s | [259.50; 503.24] |
|
| η | 0.0050202 | Pa×s | 259.50 | Joback Calculated Property |
| η | 0.0019435 | Pa×s | 300.12 | Joback Calculated Property |
| η | 0.0009434 | Pa×s | 340.75 | Joback Calculated Property |
| η | 0.0005342 | Pa×s | 381.37 | Joback Calculated Property |
| η | 0.0003375 | Pa×s | 421.99 | Joback Calculated Property |
| η | 0.0002311 | Pa×s | 462.62 | Joback Calculated Property |
| η | 0.0001682 | Pa×s | 503.24 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to 2-Butene-1,4-diol, diacetate.
Sources
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