- InChI
- InChI=1S/C11H22O3/c1-6-7-9(2)14-10(12)13-8-11(3,4)5/h9H,6-8H2,1-5H3
- InChI Key
- IPTUBJGOJROINE-UHFFFAOYSA-N
- Formula
- C11H22O3
- SMILES
- CCCC(C)OC(=O)OCC(C)(C)C
- Molecular Weight1
- 202.29
- 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° | -296.78 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -661.42 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 17.28 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 49.96 | kJ/mol | Joback Calculated Property |
| log10WS | -3.22 | Crippen Calculated Property | |
| logPoct/wat | 3.374 | Crippen Calculated Property | |
| McVol | 179.160 | ml/mol | McGowan Calculated Property |
| Pc | 2032.72 | kPa | Joback Calculated Property |
| Inp | [1190.00; 1190.00] |
|
|
| Inp | 1190.00 | NIST | |
| Inp | 1190.00 | NIST | |
| Tboil | 546.12 | K | Joback Calculated Property |
| Tc | 729.24 | K | Joback Calculated Property |
| Tfus | 295.54 | K | Joback Calculated Property |
| Vc | 0.676 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [445.55; 530.91] | J/mol×K | [546.12; 729.24] |
|
| Cp,gas | 445.55 | J/mol×K | 546.12 | Joback Calculated Property |
| Cp,gas | 461.52 | J/mol×K | 576.64 | Joback Calculated Property |
| Cp,gas | 476.78 | J/mol×K | 607.16 | Joback Calculated Property |
| Cp,gas | 491.33 | J/mol×K | 637.68 | Joback Calculated Property |
| Cp,gas | 505.20 | J/mol×K | 668.20 | Joback Calculated Property |
| Cp,gas | 518.39 | J/mol×K | 698.72 | Joback Calculated Property |
| Cp,gas | 530.91 | J/mol×K | 729.24 | Joback Calculated Property |
| η | [0.0001449; 0.0038637] | Pa×s | [295.54; 546.12] |
|
| η | 0.0038637 | Pa×s | 295.54 | Joback Calculated Property |
| η | 0.0015930 | Pa×s | 337.30 | Joback Calculated Property |
| η | 0.0007983 | Pa×s | 379.07 | Joback Calculated Property |
| η | 0.0004589 | Pa×s | 420.83 | Joback Calculated Property |
| η | 0.0002915 | Pa×s | 462.59 | Joback Calculated Property |
| η | 0.0001996 | Pa×s | 504.36 | Joback Calculated Property |
| η | 0.0001449 | Pa×s | 546.12 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Carbonic acid, neopentyl 2-pentyl ester.
Sources
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