- InChI
- InChI=1S/C9H16O5/c1-9(2,3)14-13-8(11)6-5-7(10)12-4/h5-6H2,1-4H3
- InChI Key
- VAMBMSNSIPIASM-UHFFFAOYSA-N
- Formula
- C9H16O5
- SMILES
- COC(=O)CCC(=O)OOC(C)(C)C
- Molecular Weight1
- 204.22
- CAS
- 29269-20-3
- 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).
- ΔfH°liquid : Liquid phase 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° | -545.10 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -859.66 | kJ/mol | Joback Calculated Property |
| ΔfH°liquid | -841.00 ± 3.00 | kJ/mol | NIST |
| ΔfusH° | 18.41 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 55.05 | kJ/mol | Joback Calculated Property |
| log10WS | -1.50 | Crippen Calculated Property | |
| logPoct/wat | 1.213 | Crippen Calculated Property | |
| McVol | 158.420 | ml/mol | McGowan Calculated Property |
| Pc | 2530.27 | kPa | Joback Calculated Property |
| Tboil | 577.09 | K | Joback Calculated Property |
| Tc | 767.73 | K | Joback Calculated Property |
| Tfus | 360.16 | K | Joback Calculated Property |
| Vc | 0.595 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [396.16; 464.73] | J/mol×K | [577.09; 767.73] | 
|
| Cp,gas | 396.16 | J/mol×K | 577.09 | Joback Calculated Property |
| Cp,gas | 409.08 | J/mol×K | 608.86 | Joback Calculated Property |
| Cp,gas | 421.41 | J/mol×K | 640.64 | Joback Calculated Property |
| Cp,gas | 433.14 | J/mol×K | 672.41 | Joback Calculated Property |
| Cp,gas | 444.28 | J/mol×K | 704.19 | Joback Calculated Property |
| Cp,gas | 454.81 | J/mol×K | 735.96 | Joback Calculated Property |
| Cp,gas | 464.73 | J/mol×K | 767.73 | Joback Calculated Property |
| η | [0.0001512; 0.0015949] | Pa×s | [360.16; 577.09] |
|
| η | 0.0015949 | Pa×s | 360.16 | Joback Calculated Property |
| η | 0.0009004 | Pa×s | 396.31 | Joback Calculated Property |
| η | 0.0005593 | Pa×s | 432.47 | Joback Calculated Property |
| η | 0.0003739 | Pa×s | 468.62 | Joback Calculated Property |
| η | 0.0002648 | Pa×s | 504.78 | Joback Calculated Property |
| η | 0.0001964 | Pa×s | 540.93 | Joback Calculated Property |
| η | 0.0001512 | Pa×s | 577.09 | Joback Calculated Property |
Similar Compounds
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Sources
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