- InChI
- InChI=1S/C12H22O3/c1-12(2,3)9-14-11(13)15-10-7-5-4-6-8-10/h10H,4-9H2,1-3H3
- InChI Key
- DZJZBIPEXUAHJX-UHFFFAOYSA-N
- Formula
- C12H22O3
- SMILES
- CC(C)(C)COC(=O)OC1CCCCC1
- 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° | -261.47 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -622.46 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 15.23 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 53.00 | kJ/mol | Joback Calculated Property |
| log10WS | -3.54 | Crippen Calculated Property | |
| logPoct/wat | 3.518 | Crippen Calculated Property | |
| McVol | 182.390 | ml/mol | McGowan Calculated Property |
| Pc | 2231.30 | kPa | Joback Calculated Property |
| Inp | 1408.00 | NIST | |
| Tboil | 588.99 | K | Joback Calculated Property |
| Tc | 798.14 | K | Joback Calculated Property |
| Tfus | 329.19 | K | Joback Calculated Property |
| Vc | 0.671 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [485.95; 587.47] | J/mol×K | [588.99; 798.14] | 
|
| Cp,gas | 485.95 | J/mol×K | 588.99 | Joback Calculated Property |
| Cp,gas | 505.61 | J/mol×K | 623.85 | Joback Calculated Property |
| Cp,gas | 524.15 | J/mol×K | 658.71 | Joback Calculated Property |
| Cp,gas | 541.57 | J/mol×K | 693.56 | Joback Calculated Property |
| Cp,gas | 557.92 | J/mol×K | 728.42 | Joback Calculated Property |
| Cp,gas | 573.21 | J/mol×K | 763.28 | Joback Calculated Property |
| Cp,gas | 587.47 | J/mol×K | 798.14 | Joback Calculated Property |
| η | [0.0001438; 0.0031157] | Pa×s | [329.19; 588.99] |
|
| η | 0.0031157 | Pa×s | 329.19 | Joback Calculated Property |
| η | 0.0013852 | Pa×s | 372.49 | Joback Calculated Property |
| η | 0.0007291 | Pa×s | 415.79 | Joback Calculated Property |
| η | 0.0004332 | Pa×s | 459.09 | Joback Calculated Property |
| η | 0.0002815 | Pa×s | 502.39 | Joback Calculated Property |
| η | 0.0001959 | Pa×s | 545.69 | Joback Calculated Property |
| η | 0.0001438 | Pa×s | 588.99 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Carbonic acid, neopentyl cyclohexyl ester.
Sources
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