- InChI
- InChI=1S/C12H18O6/c1-7(13)9(3)17-11(15)5-6-12(16)18-10(4)8(2)14/h9-10H,5-6H2,1-4H3
- InChI Key
- MJFIYODJICINQS-UHFFFAOYSA-N
- Formula
- C12H18O6
- SMILES
-
CC(=O)C(C)OC(=O)CCC(=O)OC(C)C(
C)=O - Molecular Weight1
- 258.27
- 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 | 0.7161 | Relay (1.0) Calculated Property | |
| ΔfG° | -680.40 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -1191.54 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 28.56 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 76.72 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 9.26 | eV | Relay (1.0) Calculated Property |
| log10WS | -1.09 | Relay (1.0) Calculated Property | |
| logPoct/wat | 0.808 | Crippen Calculated Property | |
| McVol | 197.960 | ml/mol | McGowan Calculated Property |
| Pc | 2191.78 | kPa | Joback Calculated Property |
| Inp | [1740.00; 1740.00] |
|
|
| Inp | 1740.00 | NIST | |
| Inp | 1740.00 | NIST | |
| Tboil | 531.19 | K | Relay (1.0) Calculated Property |
| Tc | 724.72 | K | Relay (1.0) Calculated Property |
| Tfus | 353.57 | K | Relay (1.0) Calculated Property |
| Vc | 0.734 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [553.68; 617.27] | J/mol×K | [733.40; 930.78] |
|
| Cp,gas | 553.68 | J/mol×K | 733.40 | Joback Calculated Property |
| Cp,gas | 566.31 | J/mol×K | 766.30 | Joback Calculated Property |
| Cp,gas | 578.13 | J/mol×K | 799.19 | Joback Calculated Property |
| Cp,gas | 589.14 | J/mol×K | 832.09 | Joback Calculated Property |
| Cp,gas | 599.33 | J/mol×K | 864.99 | Joback Calculated Property |
| Cp,gas | 608.71 | J/mol×K | 897.88 | Joback Calculated Property |
| Cp,gas | 617.27 | J/mol×K | 930.78 | Joback Calculated Property |
| η | [0.0001263; 0.0015495] | Pa×s | [439.18; 733.40] |
|
| η | 0.0015495 | Pa×s | 439.18 | Joback Calculated Property |
| η | 0.0008271 | Pa×s | 488.22 | Joback Calculated Property |
| η | 0.0004951 | Pa×s | 537.25 | Joback Calculated Property |
| η | 0.0003229 | Pa×s | 586.29 | Joback Calculated Property |
| η | 0.0002250 | Pa×s | 635.33 | Joback Calculated Property |
| η | 0.0001651 | Pa×s | 684.36 | Joback Calculated Property |
| η | 0.0001263 | Pa×s | 733.40 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Succinic acid, di(3-oxobut-2-yl) ester.
Sources
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