- InChI
- InChI=1S/C9H16O6/c1-4-12-8(10)14-6-7(3)15-9(11)13-5-2/h7H,4-6H2,1-3H3
- InChI Key
- NSLXRDJMYHNCHG-UHFFFAOYSA-N
- Formula
- C9H16O6
- SMILES
- CCOC(=O)OCC(C)OC(=O)OCC
- Molecular Weight1
- 220.22
- ω : Acentric Factor.
- Cp,gas : Ideal gas heat capacity (J/mol×K).
- η : Dynamic viscosity (Pa×s).
- 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).
- 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 | 0.6912 | Relay (1.0) Calculated Property | |
| ΔfH°gas | -1209.47 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 26.66 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 80.14 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 10.20 | eV | Relay (1.0) Calculated Property |
| logPoct/wat | 1.721 | Crippen Calculated Property | |
| McVol | 164.290 | ml/mol | McGowan Calculated Property |
| Pc | 2271.90 | kPa | Joback Calculated Property |
| Inp | [1348.00; 1348.00] |
|
|
| Inp | 1348.00 | NIST | |
| Inp | 1348.00 | NIST | |
| Tboil | 514.87 | K | Relay (1.0) Calculated Property |
| Tc | 645.73 | K | Relay (1.0) Calculated Property |
| Tfus | 228.12 | K | Relay (1.0) Calculated Property |
| Vc | 0.657 | m3/kmol | Relay (1.0) Calculated Property |
Cheméo can also estimate Standard Gibbs free energy of formation, Log10 of Water solubility in mol/l for this compound, but they fall outside the models' validated range, so they are not shown here. Open the prediction tool to compute them on demand.
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [409.08; 478.01] | J/mol×K | [566.36; 744.73] |
|
| Cp,gas | 409.08 | J/mol×K | 566.36 | Joback Calculated Property |
| Cp,gas | 421.91 | J/mol×K | 596.09 | Joback Calculated Property |
| Cp,gas | 434.22 | J/mol×K | 625.82 | Joback Calculated Property |
| Cp,gas | 446.01 | J/mol×K | 655.54 | Joback Calculated Property |
| Cp,gas | 457.25 | J/mol×K | 685.27 | Joback Calculated Property |
| Cp,gas | 467.92 | J/mol×K | 715.00 | Joback Calculated Property |
| Cp,gas | 478.01 | J/mol×K | 744.73 | Joback Calculated Property |
| η | [0.0001052; 0.0029995] | Pa×s | [305.31; 566.36] |
|
| η | 0.0029995 | Pa×s | 305.31 | Joback Calculated Property |
| η | 0.0012114 | Pa×s | 348.82 | Joback Calculated Property |
| η | 0.0005982 | Pa×s | 392.33 | Joback Calculated Property |
| η | 0.0003401 | Pa×s | 435.83 | Joback Calculated Property |
| η | 0.0002142 | Pa×s | 479.34 | Joback Calculated Property |
| η | 0.0001457 | Pa×s | 522.85 | Joback Calculated Property |
| η | 0.0001052 | Pa×s | 566.36 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Diethyl propane-1,2-diyl dicarbonate.
Sources
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