- InChI
- InChI=1S/C15H28O2/c1-4-5-6-7-8-9-10-11-12-13-14(2)17-15(3)16/h4,14H,1,5-13H2,2-3H3
- InChI Key
- LKCYXFCSEWVFTO-UHFFFAOYSA-N
- Formula
- C15H28O2
- SMILES
- C=CCCCCCCCCCC(C)OC(C)=O
- Molecular Weight1
- 240.38
- 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.
- 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° | -73.10 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -477.58 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 32.59 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 57.08 | kJ/mol | Joback Calculated Property |
| log10WS | -4.93 | Crippen Calculated Property | |
| logPoct/wat | 4.635 | Crippen Calculated Property | |
| McVol | 225.350 | ml/mol | McGowan Calculated Property |
| Pc | 1523.50 | kPa | Joback Calculated Property |
| Inp | [1623.00; 1623.00] |
|
|
| Inp | 1623.00 | NIST | |
| Inp | 1623.00 | NIST | |
| I | [1920.00; 1920.00] |
|
|
| I | 1920.00 | NIST | |
| I | 1920.00 | NIST | |
| Tboil | 615.13 | K | Joback Calculated Property |
| Tc | 787.46 | K | Joback Calculated Property |
| Tfus | 314.21 | K | Joback Calculated Property |
| Vc | 0.875 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [599.05; 691.45] | J/mol×K | [615.13; 787.46] |
|
| Cp,gas | 599.05 | J/mol×K | 615.13 | Joback Calculated Property |
| Cp,gas | 616.27 | J/mol×K | 643.85 | Joback Calculated Property |
| Cp,gas | 632.74 | J/mol×K | 672.57 | Joback Calculated Property |
| Cp,gas | 648.48 | J/mol×K | 701.29 | Joback Calculated Property |
| Cp,gas | 663.50 | J/mol×K | 730.01 | Joback Calculated Property |
| Cp,gas | 677.81 | J/mol×K | 758.74 | Joback Calculated Property |
| Cp,gas | 691.45 | J/mol×K | 787.46 | Joback Calculated Property |
| η | [0.0001332; 0.0033107] | Pa×s | [314.21; 615.13] |
|
| η | 0.0033107 | Pa×s | 314.21 | Joback Calculated Property |
| η | 0.0013405 | Pa×s | 364.36 | Joback Calculated Property |
| η | 0.0006755 | Pa×s | 414.52 | Joback Calculated Property |
| η | 0.0003947 | Pa×s | 464.67 | Joback Calculated Property |
| η | 0.0002561 | Pa×s | 514.82 | Joback Calculated Property |
| η | 0.0001794 | Pa×s | 564.98 | Joback Calculated Property |
| η | 0.0001332 | Pa×s | 615.13 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to 12-Tridecen-2-yl acetate.
Sources
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