- InChI
- InChI=1S/C12H24O4/c1-5-6-7-14-9-11(4)16-12(13)15-8-10(2)3/h10-11H,5-9H2,1-4H3
- InChI Key
- BRURFZXLTNZTRM-UHFFFAOYSA-N
- Formula
- C12H24O4
- SMILES
- CCCCOCC(C)OC(=O)OCC(C)C
- Molecular Weight1
- 232.32
- 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).
- 1: Molecular weight from the IUPAC atomic weights tables.
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Physical Properties
| Property | Value | Unit | Source |
|---|---|---|---|
| ΔfH°gas | -941.36 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 26.54 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 73.43 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 9.78 | eV | Relay (1.0) Calculated Property |
| logPoct/wat | 3.001 | Crippen Calculated Property | |
| McVol | 199.120 | ml/mol | McGowan Calculated Property |
| Pc | 1760.97 | kPa | Joback Calculated Property |
| Inp | [1415.00; 1415.00] |
|
|
| Inp | 1415.00 | NIST | |
| Inp | 1415.00 | NIST | |
| Tboil | 508.83 | K | Relay (1.0) Calculated Property |
| Tc | 655.94 | K | Relay (1.0) Calculated Property |
| Tfus | 196.87 | K | Relay (1.0) Calculated Property |
Cheméo can also estimate Critical Volume, Standard Gibbs free energy of formation, Acentric Factor, 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 | [513.85; 600.81] | J/mol×K | [576.34; 748.81] |
|
| Cp,gas | 513.85 | J/mol×K | 576.34 | Joback Calculated Property |
| Cp,gas | 529.95 | J/mol×K | 605.09 | Joback Calculated Property |
| Cp,gas | 545.41 | J/mol×K | 633.83 | Joback Calculated Property |
| Cp,gas | 560.24 | J/mol×K | 662.58 | Joback Calculated Property |
| Cp,gas | 574.41 | J/mol×K | 691.32 | Joback Calculated Property |
| Cp,gas | 587.94 | J/mol×K | 720.07 | Joback Calculated Property |
| Cp,gas | 600.81 | J/mol×K | 748.81 | Joback Calculated Property |
| η | [0.0000953; 0.0047035] | Pa×s | [281.79; 576.34] |
|
| η | 0.0047035 | Pa×s | 281.79 | Joback Calculated Property |
| η | 0.0015164 | Pa×s | 330.88 | Joback Calculated Property |
| η | 0.0006550 | Pa×s | 379.97 | Joback Calculated Property |
| η | 0.0003428 | Pa×s | 429.06 | Joback Calculated Property |
| η | 0.0002050 | Pa×s | 478.16 | Joback Calculated Property |
| η | 0.0001349 | Pa×s | 527.25 | Joback Calculated Property |
| η | 0.0000953 | Pa×s | 576.34 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to 1-Butoxypropan-2-yl isobutyl carbonate.
Sources
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