- InChI
- InChI=1S/C15H28O2/c1-4-5-6-7-8-9-10-11-12-13-15(16)17-14(2)3/h10-11,14H,4-9,12-13H2,1-3H3/b11-10+
- InChI Key
- IGALRDVCWFUMBZ-ZHACJKMWSA-N
- Formula
- C15H28O2
- SMILES
- CCCCCCCC=CCCC(=O)OC(C)C
- 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).
- 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° | -80.72 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -485.79 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 34.07 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 57.71 | 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 | 1535.46 | kPa | Joback Calculated Property |
| I | [1866.00; 1866.00] |
|
|
| I | 1866.00 | NIST | |
| I | 1866.00 | NIST | |
| Tboil | 622.61 | K | Joback Calculated Property |
| Tc | 798.28 | K | Joback Calculated Property |
| Tfus | 310.89 | K | Joback Calculated Property |
| Vc | 0.874 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [600.96; 693.62] | J/mol×K | [622.61; 798.28] |
|
| Cp,gas | 600.96 | J/mol×K | 622.61 | Joback Calculated Property |
| Cp,gas | 618.28 | J/mol×K | 651.89 | Joback Calculated Property |
| Cp,gas | 634.82 | J/mol×K | 681.17 | Joback Calculated Property |
| Cp,gas | 650.60 | J/mol×K | 710.44 | Joback Calculated Property |
| Cp,gas | 665.65 | J/mol×K | 739.72 | Joback Calculated Property |
| Cp,gas | 679.98 | J/mol×K | 769.00 | Joback Calculated Property |
| Cp,gas | 693.62 | J/mol×K | 798.28 | Joback Calculated Property |
| η | [0.0001094; 0.0032461] | Pa×s | [310.89; 622.61] |
|
| η | 0.0032461 | Pa×s | 310.89 | Joback Calculated Property |
| η | 0.0012311 | Pa×s | 362.84 | Joback Calculated Property |
| η | 0.0005952 | Pa×s | 414.80 | Joback Calculated Property |
| η | 0.0003383 | Pa×s | 466.75 | Joback Calculated Property |
| η | 0.0002154 | Pa×s | 518.70 | Joback Calculated Property |
| η | 0.0001488 | Pa×s | 570.66 | Joback Calculated Property |
| η | 0.0001094 | Pa×s | 622.61 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Isopropyl (E)-4-dodecenoate.
Sources
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