- InChI
- InChI=1S/C21H40O2/c1-3-5-7-9-10-11-12-13-14-16-18-20-23-21(22)19-17-15-8-6-4-2/h15,17H,3-14,16,18-20H2,1-2H3/b17-15+
- InChI Key
- HLKUBPBBKZJDIJ-BMRADRMJSA-N
- Formula
- C21H40O2
- SMILES
- CCCCC=CCC(=O)OCCCCCCCCCCCCC
- Molecular Weight1
- 324.54
- 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° | -27.76 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -604.35 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 53.13 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 71.45 | kJ/mol | Joback Calculated Property |
| log10WS | -7.33 | Crippen Calculated Property | |
| logPoct/wat | 6.977 | Crippen Calculated Property | |
| McVol | 309.890 | ml/mol | McGowan Calculated Property |
| Pc | 1016.83 | kPa | Joback Calculated Property |
| Inp | [2280.00; 2280.00] |
|
|
| Inp | 2280.00 | NIST | |
| Inp | 2280.00 | NIST | |
| Tboil | 760.33 | K | Joback Calculated Property |
| Tc | 936.69 | K | Joback Calculated Property |
| Tfus | 393.51 | K | Joback Calculated Property |
| Vc | 1.216 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [945.68; 1049.56] | J/mol×K | [760.33; 936.69] |
|
| Cp,gas | 945.68 | J/mol×K | 760.33 | Joback Calculated Property |
| Cp,gas | 965.24 | J/mol×K | 789.72 | Joback Calculated Property |
| Cp,gas | 983.86 | J/mol×K | 819.12 | Joback Calculated Property |
| Cp,gas | 1001.56 | J/mol×K | 848.51 | Joback Calculated Property |
| Cp,gas | 1018.40 | J/mol×K | 877.90 | Joback Calculated Property |
| Cp,gas | 1034.38 | J/mol×K | 907.29 | Joback Calculated Property |
| Cp,gas | 1049.56 | J/mol×K | 936.69 | Joback Calculated Property |
| η | [0.0000555; 0.0013987] | Pa×s | [393.51; 760.33] |
|
| η | 0.0013987 | Pa×s | 393.51 | Joback Calculated Property |
| η | 0.0005689 | Pa×s | 454.65 | Joback Calculated Property |
| η | 0.0002864 | Pa×s | 515.78 | Joback Calculated Property |
| η | 0.0001668 | Pa×s | 576.92 | Joback Calculated Property |
| η | 0.0001077 | Pa×s | 638.06 | Joback Calculated Property |
| η | 0.0000751 | Pa×s | 699.19 | Joback Calculated Property |
| η | 0.0000555 | Pa×s | 760.33 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to 3-Octenoic acid, tridecyl ester.
Sources
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