- InChI
- InChI=1S/C12H24O3/c1-3-5-6-7-9-15-12(14)10-11(13)8-4-2/h11,13H,3-10H2,1-2H3
- InChI Key
- ZRTLMXWZDCVYMO-UHFFFAOYSA-N
- Formula
- C12H24O3
- SMILES
- CCCCCCOC(=O)CC(O)CCC
- Molecular Weight1
- 216.32
- 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).
- I : 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° | -323.02 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -693.32 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 30.19 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 67.75 | kJ/mol | Joback Calculated Property |
| log10WS | -3.08 | Crippen Calculated Property | |
| logPoct/wat | 2.661 | Crippen Calculated Property | |
| McVol | 193.250 | ml/mol | McGowan Calculated Property |
| Pc | 2021.76 | kPa | Joback Calculated Property |
| I | [2066.00; 2066.00] |
|
|
| I | 2066.00 | NIST | |
| I | 2066.00 | NIST | |
| Tboil | 641.99 | K | Joback Calculated Property |
| Tc | 810.69 | K | Joback Calculated Property |
| Tfus | 342.98 | K | Joback Calculated Property |
| Vc | 0.745 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [530.60; 604.99] | J/mol×K | [641.99; 810.69] |
|
| Cp,gas | 530.60 | J/mol×K | 641.99 | Joback Calculated Property |
| Cp,gas | 544.46 | J/mol×K | 670.11 | Joback Calculated Property |
| Cp,gas | 557.72 | J/mol×K | 698.22 | Joback Calculated Property |
| Cp,gas | 570.39 | J/mol×K | 726.34 | Joback Calculated Property |
| Cp,gas | 582.49 | J/mol×K | 754.46 | Joback Calculated Property |
| Cp,gas | 594.01 | J/mol×K | 782.57 | Joback Calculated Property |
| Cp,gas | 604.99 | J/mol×K | 810.69 | Joback Calculated Property |
| η | [0.0000498; 0.0063203] | Pa×s | [342.98; 641.99] |
|
| η | 0.0063203 | Pa×s | 342.98 | Joback Calculated Property |
| η | 0.0016900 | Pa×s | 392.81 | Joback Calculated Property |
| η | 0.0006081 | Pa×s | 442.65 | Joback Calculated Property |
| η | 0.0002691 | Pa×s | 492.49 | Joback Calculated Property |
| η | 0.0001384 | Pa×s | 542.32 | Joback Calculated Property |
| η | 0.0000796 | Pa×s | 592.15 | Joback Calculated Property |
| η | 0.0000498 | Pa×s | 641.99 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Hexyl 3-hydroxyhexanoate.
Sources
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