- InChI
- InChI=1S/C23H46O2/c1-6-16-22(7-2)25-23(24)19-21(5)18-15-13-11-9-8-10-12-14-17-20(3)4/h20-22H,6-19H2,1-5H3
- InChI Key
- IHAVEWNYCCTFTN-UHFFFAOYSA-N
- Formula
- C23H46O2
- SMILES
-
CCCC(CC)OC(=O)CC(C)CCCCCCCCCCC
(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° | -98.46 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -778.69 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 47.54 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 74.78 | 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 | 887.88 | kPa | Joback Calculated Property |
| Inp | [2279.00; 2279.00] |
|
|
| Inp | 2279.00 | NIST | |
| Inp | 2279.00 | NIST | |
| Tboil | 800.61 | K | Joback Calculated Property |
| Tc | 982.44 | K | Joback Calculated Property |
| Tfus | 376.13 | K | Joback Calculated Property |
| Vc | 1.329 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [1094.83; 1206.25] | J/mol×K | [800.61; 982.44] |
|
| Cp,gas | 1094.83 | J/mol×K | 800.61 | Joback Calculated Property |
| Cp,gas | 1116.12 | J/mol×K | 830.91 | Joback Calculated Property |
| Cp,gas | 1136.27 | J/mol×K | 861.22 | Joback Calculated Property |
| Cp,gas | 1155.33 | J/mol×K | 891.52 | Joback Calculated Property |
| Cp,gas | 1173.33 | J/mol×K | 921.83 | Joback Calculated Property |
| Cp,gas | 1190.29 | J/mol×K | 952.13 | Joback Calculated Property |
| Cp,gas | 1206.25 | J/mol×K | 982.44 | Joback Calculated Property |
| η | [0.0000375; 0.0024223] | Pa×s | [376.13; 800.61] |
|
| η | 0.0024223 | Pa×s | 376.13 | Joback Calculated Property |
| η | 0.0006975 | Pa×s | 446.88 | Joback Calculated Property |
| η | 0.0002823 | Pa×s | 517.62 | Joback Calculated Property |
| η | 0.0001420 | Pa×s | 588.37 | Joback Calculated Property |
| η | 0.0000828 | Pa×s | 659.12 | Joback Calculated Property |
| η | 0.0000536 | Pa×s | 729.86 | Joback Calculated Property |
| η | 0.0000375 | Pa×s | 800.61 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to 3-Hexyl 3,14-dimethylpentadecanoate.
Sources
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