- InChI
- InChI=1S/C9H18O3/c1-6-11-8(10)12-7(2)9(3,4)5/h7H,6H2,1-5H3
- InChI Key
- ZZYPHBZAQJIHGH-UHFFFAOYSA-N
- Formula
- C9H18O3
- SMILES
- CCOC(=O)OC(C)C(C)(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).
- 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 | 0.4922 | Relay (1.0) Calculated Property | |
| ΔfH°gas | -752.95 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 13.69 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 60.58 | kJ/mol | Relay (1.0) Calculated Property |
| logPoct/wat | 2.594 | Crippen Calculated Property | |
| McVol | 150.980 | ml/mol | McGowan Calculated Property |
| Pc | 2340.56 | kPa | Joback Calculated Property |
| Inp | 1034.00 | NIST | |
| Tboil | 443.33 | K | Relay (1.0) Calculated Property |
| Tc | 602.33 | K | Relay (1.0) Calculated Property |
| Tfus | 233.37 | K | Relay (1.0) Calculated Property |
| Vc | 0.552 | m3/kmol | Relay (1.0) Calculated Property |
Cheméo can also estimate Standard Gibbs free energy of formation, Ionization energy, 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 | [345.39; 424.19] | J/mol×K | [482.49; 666.68] | 
|
| Cp,gas | 345.39 | J/mol×K | 482.49 | Joback Calculated Property |
| Cp,gas | 360.14 | J/mol×K | 513.19 | Joback Calculated Property |
| Cp,gas | 374.23 | J/mol×K | 543.89 | Joback Calculated Property |
| Cp,gas | 387.67 | J/mol×K | 574.59 | Joback Calculated Property |
| Cp,gas | 400.47 | J/mol×K | 605.28 | Joback Calculated Property |
| Cp,gas | 412.64 | J/mol×K | 635.98 | Joback Calculated Property |
| Cp,gas | 424.19 | J/mol×K | 666.68 | Joback Calculated Property |
| η | [0.0001741; 0.0092558] | Pa×s | [243.17; 482.49] |
|
| η | 0.0092558 | Pa×s | 243.17 | Joback Calculated Property |
| η | 0.0029933 | Pa×s | 283.06 | Joback Calculated Property |
| η | 0.0012794 | Pa×s | 322.94 | Joback Calculated Property |
| η | 0.0006592 | Pa×s | 362.83 | Joback Calculated Property |
| η | 0.0003873 | Pa×s | 402.72 | Joback Calculated Property |
| η | 0.0002505 | Pa×s | 442.60 | Joback Calculated Property |
| η | 0.0001741 | Pa×s | 482.49 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to 3,3-Dimethylbutan-2-yl ethyl carbonate.
Sources
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