- InChI
- InChI=1S/C16H32O3/c1-12(10-15(3,4)5)9-14(17)19-13(2)11-18-16(6,7)8/h12-13H,9-11H2,1-8H3
- InChI Key
- WOBCBGRPPLPSMU-UHFFFAOYSA-N
- Formula
- C16H32O3
- SMILES
-
CC(CC(=O)OC(C)COC(C)(C)C)CC(C)
(C)C - Molecular Weight1
- 272.42
- 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° | -254.28 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -778.65 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 19.30 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 59.41 | kJ/mol | Joback Calculated Property |
| log10WS | -4.21 | Crippen Calculated Property | |
| logPoct/wat | 4.196 | Crippen Calculated Property | |
| McVol | 249.610 | ml/mol | McGowan Calculated Property |
| Pc | 1401.69 | kPa | Joback Calculated Property |
| Inp | [1527.00; 1527.00] |
|
|
| Inp | 1527.00 | NIST | |
| Inp | 1527.00 | NIST | |
| Tboil | 656.85 | K | Joback Calculated Property |
| Tc | 843.52 | K | Joback Calculated Property |
| Tfus | 339.31 | K | Joback Calculated Property |
| Vc | 0.940 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [712.21; 813.73] | J/mol×K | [656.85; 843.52] |
|
| Cp,gas | 712.21 | J/mol×K | 656.85 | Joback Calculated Property |
| Cp,gas | 731.60 | J/mol×K | 687.96 | Joback Calculated Property |
| Cp,gas | 749.96 | J/mol×K | 719.07 | Joback Calculated Property |
| Cp,gas | 767.31 | J/mol×K | 750.18 | Joback Calculated Property |
| Cp,gas | 783.70 | J/mol×K | 781.30 | Joback Calculated Property |
| Cp,gas | 799.16 | J/mol×K | 812.41 | Joback Calculated Property |
| Cp,gas | 813.73 | J/mol×K | 843.52 | Joback Calculated Property |
| η | [0.0000602; 0.0035646] | Pa×s | [339.31; 656.85] |
|
| η | 0.0035646 | Pa×s | 339.31 | Joback Calculated Property |
| η | 0.0011413 | Pa×s | 392.23 | Joback Calculated Property |
| η | 0.0004790 | Pa×s | 445.16 | Joback Calculated Property |
| η | 0.0002418 | Pa×s | 498.08 | Joback Calculated Property |
| η | 0.0001392 | Pa×s | 551.00 | Joback Calculated Property |
| η | 0.0000883 | Pa×s | 603.93 | Joback Calculated Property |
| η | 0.0000602 | Pa×s | 656.85 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to 1-tert-Butoxypropan-2-yl 3,5,5-trimethylhexanoate.
Sources
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