- InChI
- InChI=1S/C12H23NO5/c1-9(2)7-17-11(14)13-5-6-16-12(15)18-8-10(3)4/h9-10H,5-8H2,1-4H3,(H,13,14)
- InChI Key
- CWJBVYLJEKSWIV-UHFFFAOYSA-N
- Formula
- C12H23NO5
- SMILES
- CC(C)COC(=O)NCCOC(=O)OCC(C)C
- Molecular Weight1
- 261.31
- ω : Acentric Factor.
- Cp,gas : Ideal gas heat capacity (J/mol×K).
- 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).
- 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 | 0.8245 | Relay (1.0) Calculated Property | |
| ΔfG° | -438.17 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -1107.00 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 31.65 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 84.33 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 9.56 | eV | Relay (1.0) Calculated Property |
| log10WS | -2.57 | Relay (1.0) Calculated Property | |
| logPoct/wat | 2.178 | Crippen Calculated Property | |
| McVol | 210.670 | ml/mol | McGowan Calculated Property |
| Pc | 1947.51 | kPa | Joback Calculated Property |
| Inp | 1748.00 | NIST | |
| Tboil | 568.21 | K | Relay (1.0) Calculated Property |
| Tc | 718.49 | K | Relay (1.0) Calculated Property |
| Tfus | 261.49 | K | Relay (1.0) Calculated Property |
| Vc | 0.809 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [600.31; 676.56] | J/mol×K | [698.25; 883.16] | 
|
| Cp,gas | 600.31 | J/mol×K | 698.25 | Joback Calculated Property |
| Cp,gas | 614.96 | J/mol×K | 729.07 | Joback Calculated Property |
| Cp,gas | 628.85 | J/mol×K | 759.89 | Joback Calculated Property |
| Cp,gas | 641.96 | J/mol×K | 790.70 | Joback Calculated Property |
| Cp,gas | 654.28 | J/mol×K | 821.52 | Joback Calculated Property |
| Cp,gas | 665.82 | J/mol×K | 852.34 | Joback Calculated Property |
| Cp,gas | 676.56 | J/mol×K | 883.16 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Isobutyl 2-(isobutoxycarbonyloxy)ethylcarbamate.
Sources
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