- InChI
- InChI=1S/C9H18O4/c1-9(2,3)8(11)13-7-6-12-5-4-10/h10H,4-7H2,1-3H3
- InChI Key
- OIJDLOHUGUWXRT-UHFFFAOYSA-N
- Formula
- C9H18O4
- SMILES
- CC(C)(C)C(=O)OCCOCCO
- Molecular Weight1
- 190.24
- CAS
- 20267-21-4
- ω : Acentric Factor.
- Cp,gas : Ideal gas heat capacity (J/mol×K).
- Cp,liquid : Liquid phase 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).
- 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 | 0.7740 | Relay (... Calculated Property | |
| ΔfG° | -448.00 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -843.88 | kJ/mol | Relay (... Calculated Property |
| ΔfusH° | 19.71 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 70.58 | kJ/mol | Relay (... Calculated Property |
| IE | 9.85 | eV | Relay (... Calculated Property |
| log10WS | -0.26 | Relay (... Calculated Property | |
| logPoct/wat | 0.585 | Crippen Calculated Property | |
| McVol | 156.850 | ml/mol | McGowan Calculated Property |
| Pc | 2651.56 | kPa | Joback Calculated Property |
| Tboil | 523.21 | K | Relay (... Calculated Property |
| Tc | 705.72 | K | Relay (... Calculated Property |
| Tfus | 243.06 | K | Relay (... Calculated Property |
| Vc | 0.583 | m3/kmol | Relay (... Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [408.42; 472.41] | J/mol×K | [592.98; 768.33] | 
|
| Cp,gas | 408.42 | J/mol×K | 592.98 | Joback Calculated Property |
| Cp,gas | 420.41 | J/mol×K | 622.21 | Joback Calculated Property |
| Cp,gas | 431.86 | J/mol×K | 651.43 | Joback Calculated Property |
| Cp,gas | 442.78 | J/mol×K | 680.66 | Joback Calculated Property |
| Cp,gas | 453.17 | J/mol×K | 709.88 | Joback Calculated Property |
| Cp,gas | 463.04 | J/mol×K | 739.11 | Joback Calculated Property |
| Cp,gas | 472.41 | J/mol×K | 768.33 | Joback Calculated Property |
| Cp,liquid | 311.60 | J/mol×K | 298.15 | NIST |
| η | [0.0000617; 0.0043648] | Pa×s | [348.82; 592.98] |
|
| η | 0.0043648 | Pa×s | 348.82 | Joback Calculated Property |
| η | 0.0014812 | Pa×s | 389.51 | Joback Calculated Property |
| η | 0.0006167 | Pa×s | 430.21 | Joback Calculated Property |
| η | 0.0002987 | Pa×s | 470.90 | Joback Calculated Property |
| η | 0.0001624 | Pa×s | 511.59 | Joback Calculated Property |
| η | 0.0000966 | Pa×s | 552.29 | Joback Calculated Property |
| η | 0.0000617 | Pa×s | 592.98 | Joback Calculated Property |
Similar Compounds
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Sources
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