- InChI
- InChI=1S/C8H14O4/c1-6(12-8(3)10)4-5-11-7(2)9/h6H,4-5H2,1-3H3
- InChI Key
- MPAGVACEWQNVQO-UHFFFAOYSA-N
- Formula
- C8H14O4
- SMILES
- CC(=O)OCCC(C)OC(C)=O
- Molecular Weight1
- 174.19
- CAS
- 1117-31-3
- Other Names
-
- 1,3-Butylene diacetate
- 1,3-Butylene glycol diacetate
- 1,3-Diacetoxybutane
- 1,3-Butandiol 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).
- 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° | -453.80 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -703.33 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 18.53 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 51.33 | kJ/mol | Joback Calculated Property |
| log10WS | -1.01 | Crippen Calculated Property | |
| logPoct/wat | 0.891 | Crippen Calculated Property | |
| McVol | 138.460 | ml/mol | McGowan Calculated Property |
| Pc | 2811.36 | kPa | Joback Calculated Property |
| Inp | [1123.70; 1123.70] |
|
|
| Inp | 1123.70 | NIST | |
| Inp | 1123.70 | NIST | |
| Tboil | 534.58 | K | Joback Calculated Property |
| Tc | 722.01 | K | Joback Calculated Property |
| Tfus | 309.24 | K | Joback Calculated Property |
| Vc | 0.525 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [322.54; 386.20] | J/mol×K | [534.58; 722.01] |
|
| Cp,gas | 322.54 | J/mol×K | 534.58 | Joback Calculated Property |
| Cp,gas | 334.30 | J/mol×K | 565.82 | Joback Calculated Property |
| Cp,gas | 345.61 | J/mol×K | 597.06 | Joback Calculated Property |
| Cp,gas | 356.46 | J/mol×K | 628.29 | Joback Calculated Property |
| Cp,gas | 366.85 | J/mol×K | 659.53 | Joback Calculated Property |
| Cp,gas | 376.76 | J/mol×K | 690.77 | Joback Calculated Property |
| Cp,gas | 386.20 | J/mol×K | 722.01 | Joback Calculated Property |
| η | [0.0002153; 0.0026376] | Pa×s | [309.24; 534.58] |
|
| η | 0.0026376 | Pa×s | 309.24 | Joback Calculated Property |
| η | 0.0013856 | Pa×s | 346.80 | Joback Calculated Property |
| η | 0.0008255 | Pa×s | 384.35 | Joback Calculated Property |
| η | 0.0005393 | Pa×s | 421.91 | Joback Calculated Property |
| η | 0.0003777 | Pa×s | 459.47 | Joback Calculated Property |
| η | 0.0002792 | Pa×s | 497.02 | Joback Calculated Property |
| η | 0.0002153 | Pa×s | 534.58 | Joback Calculated Property |
Pressure Dependent Properties
| Property | Value | Unit | Pressure (kPa) | Source |
|---|---|---|---|---|
| Tboilr | 371.20 | K | 1.00 | NIST |
Similar Compounds
Find more compounds similar to 1,3-Butanediol, diacetate.
Sources
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