- InChI
- InChI=1S/C9H18O3/c1-5-11-9(10)12-8(4)6-7(2)3/h7-8H,5-6H2,1-4H3
- InChI Key
- CKVPXYFKQTVVGZ-UHFFFAOYSA-N
- Formula
- C9H18O3
- SMILES
- CCOC(=O)OC(C)CC(C)C
- Molecular Weight1
- 174.24
- 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 | 0.5355 | Relay (1.0) Calculated Property | |
| ΔfH°gas | -756.09 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 17.58 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 61.07 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 9.89 | eV | Relay (1.0) Calculated Property |
| logPoct/wat | 2.594 | Crippen Calculated Property | |
| McVol | 150.980 | ml/mol | McGowan Calculated Property |
| Pc | 2315.84 | kPa | Joback Calculated Property |
| Inp | [1057.00; 1057.00] |
|
|
| Inp | 1057.00 | NIST | |
| Inp | 1057.00 | NIST | |
| Tboil | 443.10 | K | Relay (1.0) Calculated Property |
| Tc | 598.45 | K | Relay (1.0) Calculated Property |
| Tfus | 192.90 | K | Relay (1.0) Calculated Property |
| Vc | 0.568 | 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 | [342.79; 418.99] | J/mol×K | [485.28; 662.63] |
|
| Cp,gas | 342.79 | J/mol×K | 485.28 | Joback Calculated Property |
| Cp,gas | 356.78 | J/mol×K | 514.84 | Joback Calculated Property |
| Cp,gas | 370.25 | J/mol×K | 544.40 | Joback Calculated Property |
| Cp,gas | 383.22 | J/mol×K | 573.95 | Joback Calculated Property |
| Cp,gas | 395.66 | J/mol×K | 603.51 | Joback Calculated Property |
| Cp,gas | 407.59 | J/mol×K | 633.07 | Joback Calculated Property |
| Cp,gas | 418.99 | J/mol×K | 662.63 | Joback Calculated Property |
| η | [0.0001671; 0.0104379] | Pa×s | [225.75; 485.28] |
|
| η | 0.0104379 | Pa×s | 225.75 | Joback Calculated Property |
| η | 0.0030110 | Pa×s | 269.00 | Joback Calculated Property |
| η | 0.0012257 | Pa×s | 312.26 | Joback Calculated Property |
| η | 0.0006209 | Pa×s | 355.51 | Joback Calculated Property |
| η | 0.0003646 | Pa×s | 398.77 | Joback Calculated Property |
| η | 0.0002376 | Pa×s | 442.02 | Joback Calculated Property |
| η | 0.0001671 | Pa×s | 485.28 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Ethyl 4-methylpentan-2-yl carbonate.
Sources
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