- InChI
- InChI=1S/C8H14O4/c1-7(9)11-5-3-4-6-12-8(2)10/h3-6H2,1-2H3
- InChI Key
- XUKSWKGOQKREON-UHFFFAOYSA-N
- Formula
- C8H14O4
- SMILES
- CC(=O)OCCCCOC(C)=O
- Molecular Weight1
- 174.19
- CAS
- 628-67-1
- Other Names
-
- Butylene glycol diacetate
- Tetramethylene acetate
- Tetramethylene diacetate
- 1,4-Butylene glycol diacetate
- 1,4-Diacetoxybutane
- Butane-1,4-diol diacetate
- 1,4-Butanediol, 1,4-diacetate
- NSC 67924
- 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).
- 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 |
|---|---|---|---|
| ΔfG° | -451.36 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -698.05 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 22.05 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 51.71 | kJ/mol | Joback Calculated Property |
| log10WS | -0.90 | Crippen Calculated Property | |
| logPoct/wat | 0.893 | Crippen Calculated Property | |
| McVol | 138.460 | ml/mol | McGowan Calculated Property |
| Pc | 2787.66 | kPa | Joback Calculated Property |
| Inp | [1181.00; 1181.00] |
|
|
| Inp | 1181.00 | NIST | |
| Inp | 1181.00 | NIST | |
| I | [1763.00; 1768.00] |
|
|
| I | 1768.00 | NIST | |
| I | 1763.00 | NIST | |
| I | 1768.00 | NIST | |
| I | 1763.00 | NIST | |
| Tboil | 503.00 ± 5.00 | K | NIST |
| Tc | 718.73 | K | Joback Calculated Property |
| Tfus | 324.24 | K | Joback Calculated Property |
| Vc | 0.531 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [322.22; 384.50] | J/mol×K | [535.02; 718.73] |
|
| Cp,gas | 322.22 | J/mol×K | 535.02 | Joback Calculated Property |
| Cp,gas | 333.68 | J/mol×K | 565.64 | Joback Calculated Property |
| Cp,gas | 344.72 | J/mol×K | 596.26 | Joback Calculated Property |
| Cp,gas | 355.33 | J/mol×K | 626.88 | Joback Calculated Property |
| Cp,gas | 365.50 | J/mol×K | 657.50 | Joback Calculated Property |
| Cp,gas | 375.23 | J/mol×K | 688.12 | Joback Calculated Property |
| Cp,gas | 384.50 | J/mol×K | 718.73 | Joback Calculated Property |
| η | [0.0002287; 0.0020386] | Pa×s | [324.24; 535.02] |
|
| η | 0.0020386 | Pa×s | 324.24 | Joback Calculated Property |
| η | 0.0011847 | Pa×s | 359.37 | Joback Calculated Property |
| η | 0.0007583 | Pa×s | 394.50 | Joback Calculated Property |
| η | 0.0005222 | Pa×s | 429.63 | Joback Calculated Property |
| η | 0.0003804 | Pa×s | 464.76 | Joback Calculated Property |
| η | 0.0002898 | Pa×s | 499.89 | Joback Calculated Property |
| η | 0.0002287 | Pa×s | 535.02 | Joback Calculated Property |
Pressure Dependent Properties
| Property | Value | Unit | Pressure (kPa) | Source |
|---|---|---|---|---|
| Tboilr | 403.50 ± 0.50 | K | 2.70 | NIST |
Similar Compounds
Find more compounds similar to 1,4-Butanediol, diacetate.
Sources
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