- InChI
- InChI=1S/C12H22O3/c1-10(2)8-14-12(13)15-9-11-6-4-3-5-7-11/h10-11H,3-9H2,1-2H3
- InChI Key
- FJMBJSZKZAOJSK-UHFFFAOYSA-N
- Formula
- C12H22O3
- SMILES
- CC(C)COC(=O)OCC1CCCCC1
- Molecular Weight1
- 214.30
- Cp,gas : Ideal gas heat capacity (J/mol×K).
- η : Dynamic viscosity (Pa×s).
- 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).
- 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 |
|---|---|---|---|
| ΔfG° | -266.75 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -618.99 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 19.12 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 53.91 | kJ/mol | Joback Calculated Property |
| log10WS | -3.18 | Crippen Calculated Property | |
| logPoct/wat | 3.376 | Crippen Calculated Property | |
| McVol | 182.390 | ml/mol | McGowan Calculated Property |
| Pc | 2208.29 | kPa | Joback Calculated Property |
| Inp | [1486.00; 1486.00] |
|
|
| Inp | 1486.00 | NIST | |
| Inp | 1486.00 | NIST | |
| Tboil | 591.78 | K | Joback Calculated Property |
| Tc | 793.39 | K | Joback Calculated Property |
| Tfus | 311.77 | K | Joback Calculated Property |
| Vc | 0.676 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [483.43; 583.21] | J/mol×K | [591.78; 793.39] |
|
| Cp,gas | 483.43 | J/mol×K | 591.78 | Joback Calculated Property |
| Cp,gas | 502.48 | J/mol×K | 625.38 | Joback Calculated Property |
| Cp,gas | 520.55 | J/mol×K | 658.98 | Joback Calculated Property |
| Cp,gas | 537.66 | J/mol×K | 692.58 | Joback Calculated Property |
| Cp,gas | 553.80 | J/mol×K | 726.18 | Joback Calculated Property |
| Cp,gas | 568.98 | J/mol×K | 759.79 | Joback Calculated Property |
| Cp,gas | 583.21 | J/mol×K | 793.39 | Joback Calculated Property |
| η | [0.0001495; 0.0035818] | Pa×s | [311.77; 591.78] |
|
| η | 0.0035818 | Pa×s | 311.77 | Joback Calculated Property |
| η | 0.0014946 | Pa×s | 358.44 | Joback Calculated Property |
| η | 0.0007628 | Pa×s | 405.11 | Joback Calculated Property |
| η | 0.0004474 | Pa×s | 451.77 | Joback Calculated Property |
| η | 0.0002899 | Pa×s | 498.44 | Joback Calculated Property |
| η | 0.0002024 | Pa×s | 545.11 | Joback Calculated Property |
| η | 0.0001495 | Pa×s | 591.78 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Carbonic acid, isobutyl cyclohexylmethyl ester.
Sources
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