- InChI
- InChI=1S/C10H16O6/c1-7(11)14-5-4-10(16-9(3)13)6-15-8(2)12/h10H,4-6H2,1-3H3
- InChI Key
- RPOOYSKKKVGNAP-UHFFFAOYSA-N
- Formula
- C10H16O6
- SMILES
- CC(=O)OCCC(COC(C)=O)OC(C)=O
- Molecular Weight1
- 232.23
- CAS
- 14835-47-3
- Other Names
-
- butane-1,2,4-triol, acetylated
- 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° | -670.88 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -989.41 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 26.49 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 64.93 | kJ/mol | Joback Calculated Property |
| log10WS | -0.71 | Crippen Calculated Property | |
| logPoct/wat | 0.434 | Crippen Calculated Property | |
| McVol | 174.080 | ml/mol | McGowan Calculated Property |
| Pc | 2421.88 | kPa | Joback Calculated Property |
| Inp | [1399.20; 1399.20] |
|
|
| Inp | 1399.20 | NIST | |
| Inp | 1399.20 | NIST | |
| Tboil | 656.63 | K | Joback Calculated Property |
| Tc | 846.48 | K | Joback Calculated Property |
| Tfus | 403.94 | K | Joback Calculated Property |
| Vc | 0.661 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [459.50; 524.20] | J/mol×K | [656.63; 846.48] |
|
| Cp,gas | 459.50 | J/mol×K | 656.63 | Joback Calculated Property |
| Cp,gas | 471.88 | J/mol×K | 688.27 | Joback Calculated Property |
| Cp,gas | 483.64 | J/mol×K | 719.91 | Joback Calculated Property |
| Cp,gas | 494.77 | J/mol×K | 751.55 | Joback Calculated Property |
| Cp,gas | 505.25 | J/mol×K | 783.20 | Joback Calculated Property |
| Cp,gas | 515.07 | J/mol×K | 814.84 | Joback Calculated Property |
| Cp,gas | 524.20 | J/mol×K | 846.48 | Joback Calculated Property |
| η | [0.0001388; 0.0013591] | Pa×s | [403.94; 656.63] |
|
| η | 0.0013591 | Pa×s | 403.94 | Joback Calculated Property |
| η | 0.0007766 | Pa×s | 446.06 | Joback Calculated Property |
| η | 0.0004887 | Pa×s | 488.17 | Joback Calculated Property |
| η | 0.0003310 | Pa×s | 530.28 | Joback Calculated Property |
| η | 0.0002374 | Pa×s | 572.40 | Joback Calculated Property |
| η | 0.0001782 | Pa×s | 614.51 | Joback Calculated Property |
| η | 0.0001388 | Pa×s | 656.63 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to 1,2,4-Butanetriol, triacetate.
Sources
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