- InChI
- InChI=1S/C9H16O4/c1-6(2)7(3)13-9(11)5-12-8(4)10/h6-7H,5H2,1-4H3
- InChI Key
- JALLQYLJDDRAFM-UHFFFAOYSA-N
- Formula
- C9H16O4
- SMILES
- CC(=O)OCC(=O)OC(C)C(C)C
- Molecular Weight1
- 188.22
- 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 | 0.5675 | Relay (1.0) Calculated Property | |
| ΔfG° | -447.82 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -853.37 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 17.59 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 65.89 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 9.78 | eV | Relay (1.0) Calculated Property |
| log10WS | -1.56 | Relay (1.0) Calculated Property | |
| logPoct/wat | 1.137 | Crippen Calculated Property | |
| McVol | 152.550 | ml/mol | McGowan Calculated Property |
| Pc | 2566.29 | kPa | Joback Calculated Property |
| Inp | [1196.00; 1196.00] |
|
|
| Inp | 1196.00 | NIST | |
| Inp | 1196.00 | NIST | |
| Tboil | 482.58 | K | Relay (1.0) Calculated Property |
| Tc | 645.79 | K | Relay (1.0) Calculated Property |
| Tfus | 268.27 | K | Relay (1.0) Calculated Property |
| Vc | 0.564 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [368.76; 438.48] | J/mol×K | [557.02; 745.99] |
|
| Cp,gas | 368.76 | J/mol×K | 557.02 | Joback Calculated Property |
| Cp,gas | 381.74 | J/mol×K | 588.51 | Joback Calculated Property |
| Cp,gas | 394.19 | J/mol×K | 620.01 | Joback Calculated Property |
| Cp,gas | 406.09 | J/mol×K | 651.50 | Joback Calculated Property |
| Cp,gas | 417.44 | J/mol×K | 683.00 | Joback Calculated Property |
| Cp,gas | 428.24 | J/mol×K | 714.49 | Joback Calculated Property |
| Cp,gas | 438.48 | J/mol×K | 745.99 | Joback Calculated Property |
| η | [0.0001840; 0.0033834] | Pa×s | [305.51; 557.02] |
|
| η | 0.0033834 | Pa×s | 305.51 | Joback Calculated Property |
| η | 0.0015540 | Pa×s | 347.43 | Joback Calculated Property |
| η | 0.0008440 | Pa×s | 389.35 | Joback Calculated Property |
| η | 0.0005161 | Pa×s | 431.26 | Joback Calculated Property |
| η | 0.0003443 | Pa×s | 473.18 | Joback Calculated Property |
| η | 0.0002454 | Pa×s | 515.10 | Joback Calculated Property |
| η | 0.0001840 | Pa×s | 557.02 | Joback Calculated Property |
Similar Compounds
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Sources
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