- InChI
- InChI=1S/C13H26O2/c1-10(2)9-15-12(14)7-11(3)8-13(4,5)6/h10-11H,7-9H2,1-6H3
- InChI Key
- FZZAUWKVCPGABZ-UHFFFAOYSA-N
- Formula
- C13H26O2
- SMILES
- CC(C)COC(=O)CC(C)CC(C)(C)C
- Molecular Weight1
- 214.34
- 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° | -177.38 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -575.76 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 17.75 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 51.62 | kJ/mol | Joback Calculated Property |
| log10WS | -3.40 | Crippen Calculated Property | |
| logPoct/wat | 3.648 | Crippen Calculated Property | |
| McVol | 201.470 | ml/mol | McGowan Calculated Property |
| Pc | 1758.02 | kPa | Joback Calculated Property |
| Inp | [1298.00; 1298.00] |
|
|
| Inp | 1298.00 | NIST | |
| Inp | 1298.00 | NIST | |
| Tboil | 569.02 | K | Joback Calculated Property |
| Tc | 752.82 | K | Joback Calculated Property |
| Tfus | 280.85 | K | Joback Calculated Property |
| Vc | 0.764 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [518.23; 613.15] | J/mol×K | [569.02; 752.82] |
|
| Cp,gas | 518.23 | J/mol×K | 569.02 | Joback Calculated Property |
| Cp,gas | 536.12 | J/mol×K | 599.65 | Joback Calculated Property |
| Cp,gas | 553.16 | J/mol×K | 630.29 | Joback Calculated Property |
| Cp,gas | 569.35 | J/mol×K | 660.92 | Joback Calculated Property |
| Cp,gas | 584.73 | J/mol×K | 691.56 | Joback Calculated Property |
| Cp,gas | 599.32 | J/mol×K | 722.19 | Joback Calculated Property |
| Cp,gas | 613.15 | J/mol×K | 752.82 | Joback Calculated Property |
| η | [0.0001363; 0.0074507] | Pa×s | [280.85; 569.02] |
|
| η | 0.0074507 | Pa×s | 280.85 | Joback Calculated Property |
| η | 0.0023501 | Pa×s | 328.88 | Joback Calculated Property |
| η | 0.0009947 | Pa×s | 376.91 | Joback Calculated Property |
| η | 0.0005113 | Pa×s | 424.94 | Joback Calculated Property |
| η | 0.0003009 | Pa×s | 472.96 | Joback Calculated Property |
| η | 0.0001952 | Pa×s | 520.99 | Joback Calculated Property |
| η | 0.0001363 | Pa×s | 569.02 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Hexanoic acid, 3,5,5-trimethyl-, isobutyl ester.
Sources
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