- InChI
- InChI=1S/C12H20O5/c1-4-5-8-16-11(14)6-7-12(15)17-10(3)9(2)13/h10H,4-8H2,1-3H3
- InChI Key
- COOOWMDTHVZDLQ-UHFFFAOYSA-N
- Formula
- C12H20O5
- SMILES
- CCCCOC(=O)CCC(=O)OC(C)C(C)=O
- Molecular Weight1
- 244.28
- 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 | 0.7314 | Relay (1.0) Calculated Property | |
| ΔfG° | -549.04 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -1047.25 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 30.49 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 71.42 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 9.40 | eV | Relay (1.0) Calculated Property |
| log10WS | -1.68 | Relay (1.0) Calculated Property | |
| logPoct/wat | 1.631 | Crippen Calculated Property | |
| McVol | 196.390 | ml/mol | McGowan Calculated Property |
| Pc | 2053.03 | kPa | Joback Calculated Property |
| Inp | 1622.00 | NIST | |
| Tboil | 535.71 | K | Relay (1.0) Calculated Property |
| Tc | 713.58 | K | Relay (1.0) Calculated Property |
| Tfus | 290.35 | K | Relay (1.0) Calculated Property |
| Vc | 0.738 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [536.62; 608.13] | J/mol×K | [679.97; 867.54] | 
|
| Cp,gas | 536.62 | J/mol×K | 679.97 | Joback Calculated Property |
| Cp,gas | 550.33 | J/mol×K | 711.23 | Joback Calculated Property |
| Cp,gas | 563.33 | J/mol×K | 742.49 | Joback Calculated Property |
| Cp,gas | 575.61 | J/mol×K | 773.75 | Joback Calculated Property |
| Cp,gas | 587.17 | J/mol×K | 805.02 | Joback Calculated Property |
| Cp,gas | 598.01 | J/mol×K | 836.28 | Joback Calculated Property |
| Cp,gas | 608.13 | J/mol×K | 867.54 | Joback Calculated Property |
| η | [0.0001403; 0.0016566] | Pa×s | [404.25; 679.97] |
|
| η | 0.0016566 | Pa×s | 404.25 | Joback Calculated Property |
| η | 0.0008899 | Pa×s | 450.20 | Joback Calculated Property |
| η | 0.0005364 | Pa×s | 496.16 | Joback Calculated Property |
| η | 0.0003523 | Pa×s | 542.11 | Joback Calculated Property |
| η | 0.0002471 | Pa×s | 588.06 | Joback Calculated Property |
| η | 0.0001824 | Pa×s | 634.02 | Joback Calculated Property |
| η | 0.0001403 | Pa×s | 679.97 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Succinic acid, butyl 3-oxobut-2-yl ester.
Sources
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