- InChI
- InChI=1S/C23H46O2/c1-7-8-9-10-11-12-13-14-15-16-17-21(3)25-22(24)18-20(2)19-23(4,5)6/h20-21H,7-19H2,1-6H3
- InChI Key
- ZBERYZPXQBWASF-UHFFFAOYSA-N
- Formula
- C23H46O2
- SMILES
-
CCCCCCCCCCCCC(C)OC(=O)CC(C)CC(
C)(C)C - Molecular Weight1
- 354.61
- 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° | -93.18 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -782.16 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 43.65 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 73.88 | kJ/mol | Joback Calculated Property |
| log10WS | -7.94 | Crippen Calculated Property | |
| logPoct/wat | 7.691 | Crippen Calculated Property | |
| McVol | 342.370 | ml/mol | McGowan Calculated Property |
| Pc | 893.73 | kPa | Joback Calculated Property |
| Inp | [2234.00; 2234.00] |
|
|
| Inp | 2234.00 | NIST | |
| Inp | 2234.00 | NIST | |
| Tboil | 797.82 | K | Joback Calculated Property |
| Tc | 980.78 | K | Joback Calculated Property |
| Tfus | 393.55 | K | Joback Calculated Property |
| Vc | 1.325 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [1095.14; 1206.35] | J/mol×K | [797.82; 980.78] |
|
| Cp,gas | 1095.14 | J/mol×K | 797.82 | Joback Calculated Property |
| Cp,gas | 1116.34 | J/mol×K | 828.31 | Joback Calculated Property |
| Cp,gas | 1136.41 | J/mol×K | 858.81 | Joback Calculated Property |
| Cp,gas | 1155.41 | J/mol×K | 889.30 | Joback Calculated Property |
| Cp,gas | 1173.36 | J/mol×K | 919.79 | Joback Calculated Property |
| Cp,gas | 1190.33 | J/mol×K | 950.29 | Joback Calculated Property |
| Cp,gas | 1206.35 | J/mol×K | 980.78 | Joback Calculated Property |
| η | [0.0000328; 0.0019189] | Pa×s | [393.55; 797.82] |
|
| η | 0.0019189 | Pa×s | 393.55 | Joback Calculated Property |
| η | 0.0005932 | Pa×s | 460.93 | Joback Calculated Property |
| η | 0.0002474 | Pa×s | 528.31 | Joback Calculated Property |
| η | 0.0001258 | Pa×s | 595.68 | Joback Calculated Property |
| η | 0.0000733 | Pa×s | 663.06 | Joback Calculated Property |
| η | 0.0000473 | Pa×s | 730.44 | Joback Calculated Property |
| η | 0.0000328 | Pa×s | 797.82 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Hexanoic acid, 3,5,5-trimethyl-, tetradec-2-yl ester.
Sources
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