- InChI
- InChI=1S/C12H22O5/c1-3-5-7-16-11(14)9-10(13)12(15)17-8-6-4-2/h10,13H,3-9H2,1-2H3
- InChI Key
- PDSCSYLDRHAHOX-UHFFFAOYSA-N
- Formula
- C12H22O5
- SMILES
- CCCCOC(=O)CC(O)C(=O)OCCCC
- Molecular Weight1
- 246.30
- CAS
- 6280-99-5
- Other Names
-
- Malic acid, dibutyl ester, (.+/-.)-
- Butanedioic acid, hydroxy-, dibutyl ester, (.+/-.)-
- Dibutyl malate
- DL-Malic acid, di-n-butyl ester
- NSC 6194
- dibutyl (±)-malate
- 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).
- 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° | -556.94 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -938.12 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 32.97 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 76.91 | kJ/mol | Joback Calculated Property |
| log10WS | -1.95 | Crippen Calculated Property | |
| logPoct/wat | 1.424 | Crippen Calculated Property | |
| McVol | 200.690 | ml/mol | McGowan Calculated Property |
| Pc | 2108.07 | kPa | Joback Calculated Property |
| Tboil | 718.28 | K | Joback Calculated Property |
| Tc | 895.67 | K | Joback Calculated Property |
| Tfus | 415.14 | K | Joback Calculated Property |
| Vc | 0.768 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [577.43; 644.22] | J/mol×K | [718.28; 895.67] | 
|
| Cp,gas | 577.43 | J/mol×K | 718.28 | Joback Calculated Property |
| Cp,gas | 590.18 | J/mol×K | 747.85 | Joback Calculated Property |
| Cp,gas | 602.29 | J/mol×K | 777.41 | Joback Calculated Property |
| Cp,gas | 613.74 | J/mol×K | 806.98 | Joback Calculated Property |
| Cp,gas | 624.55 | J/mol×K | 836.54 | Joback Calculated Property |
| Cp,gas | 634.71 | J/mol×K | 866.11 | Joback Calculated Property |
| Cp,gas | 644.22 | J/mol×K | 895.67 | Joback Calculated Property |
| η | [0.0000307; 0.0016760] | Pa×s | [415.14; 718.28] |
|
| η | 0.0016760 | Pa×s | 415.14 | Joback Calculated Property |
| η | 0.0005994 | Pa×s | 465.66 | Joback Calculated Property |
| η | 0.0002622 | Pa×s | 516.19 | Joback Calculated Property |
| η | 0.0001329 | Pa×s | 566.71 | Joback Calculated Property |
| η | 0.0000753 | Pa×s | 617.23 | Joback Calculated Property |
| η | 0.0000465 | Pa×s | 667.76 | Joback Calculated Property |
| η | 0.0000307 | Pa×s | 718.28 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to ENT-337.
Sources
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