- InChI
- InChI=1S/C12H22O4/c1-4-10(3)8-9-16-12(14)7-6-11(13)15-5-2/h10H,4-9H2,1-3H3
- InChI Key
- KXTQSKCPQKMSGQ-UHFFFAOYSA-N
- Formula
- C12H22O4
- SMILES
- CCOC(=O)CCC(=O)OCCC(C)CC
- Molecular Weight1
- 230.30
- 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 | 0.6962 | Relay (1.0) Calculated Property | |
| ΔfG° | -573.02 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -926.38 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 32.05 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 72.43 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 9.60 | eV | Relay (1.0) Calculated Property |
| log10WS | -2.82 | Relay (1.0) Calculated Property | |
| logPoct/wat | 2.309 | Crippen Calculated Property | |
| McVol | 194.820 | ml/mol | McGowan Calculated Property |
| Pc | 1807.70 | kPa | Joback Calculated Property |
| Inp | 1531.00 | NIST | |
| Tboil | 531.88 | K | Relay (1.0) Calculated Property |
| Tc | 704.59 | K | Relay (1.0) Calculated Property |
| Tfus | 224.62 | K | Relay (1.0) Calculated Property |
| Vc | 0.731 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [504.16; 585.35] | J/mol×K | [590.16; 765.52] | 
|
| Cp,gas | 504.16 | J/mol×K | 590.16 | Joback Calculated Property |
| Cp,gas | 519.44 | J/mol×K | 619.39 | Joback Calculated Property |
| Cp,gas | 534.02 | J/mol×K | 648.61 | Joback Calculated Property |
| Cp,gas | 547.90 | J/mol×K | 677.84 | Joback Calculated Property |
| Cp,gas | 561.08 | J/mol×K | 707.07 | Joback Calculated Property |
| Cp,gas | 573.56 | J/mol×K | 736.30 | Joback Calculated Property |
| Cp,gas | 585.35 | J/mol×K | 765.52 | Joback Calculated Property |
| η | [0.0001194; 0.0055341] | Pa×s | [294.66; 590.16] |
|
| η | 0.0055341 | Pa×s | 294.66 | Joback Calculated Property |
| η | 0.0018473 | Pa×s | 343.91 | Joback Calculated Property |
| η | 0.0008117 | Pa×s | 393.16 | Joback Calculated Property |
| η | 0.0004283 | Pa×s | 442.41 | Joback Calculated Property |
| η | 0.0002569 | Pa×s | 491.66 | Joback Calculated Property |
| η | 0.0001691 | Pa×s | 540.91 | Joback Calculated Property |
| η | 0.0001194 | Pa×s | 590.16 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Succinic acid, ethyl 3-methylpentyl ester.
Sources
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