- InChI
- InChI=1S/C11H20O2/c1-3-4-5-6-7-8-10(2)9-11(12)13/h7-8,10H,3-6,9H2,1-2H3,(H,12,13)/b8-7+
- InChI Key
- WZZXDQPNKLAUNI-BQYQJAHWSA-N
- Formula
- C11H20O2
- SMILES
- CCCCCC=CC(C)CC(=O)O
- Molecular Weight1
- 184.28
- CAS
- 22882-86-6
- Other Names
-
- (E)-3-Methyldec-4-enoic acid
- Cp,gas : Ideal gas heat capacity (J/mol×K).
- η : Dynamic viscosity (Pa×s).
- ΔfusH° : Enthalpy of fusion at standard conditions (kJ/mol).
- ΔvapH° : Enthalpy of vaporization at standard conditions (kJ/mol).
- IE : Ionization energy (eV).
- logPoct/wat : Octanol/Water partition coefficient.
- McVol : McGowan's characteristic volume (ml/mol).
- Inp : Non-polar retention indices.
- Tboil : Normal Boiling Point Temperature (K).
- Tfus : Normal melting (fusion) point (K).
- 1: Molecular weight from the IUPAC atomic weights tables.
Physical Properties
| Property | Value | Unit | Source |
|---|---|---|---|
| ΔfusH° | 31.07 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 87.31 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 9.29 | eV | Relay (1.0) Calculated Property |
| logPoct/wat | 3.234 | Crippen Calculated Property | |
| McVol | 168.990 | ml/mol | McGowan Calculated Property |
| Inp | [1388.40; 1388.40] |
|
|
| Inp | 1388.40 | NIST | |
| Inp | 1388.40 | NIST | |
| Tboil | 512.53 | K | Relay (1.0) Calculated Property |
| Tfus | 270.17 | K | Relay (1.0) Calculated Property |
Cheméo can also estimate Critical Temperature, Critical Pressure, Critical Volume, Enthalpy of formation at standard conditions, Standard Gibbs free energy of formation, Acentric Factor, Log10 of Water solubility in mol/l for this compound, but they fall outside the models' validated range, so they are not shown here. Open the prediction tool to compute them on demand.
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [434.90; 508.61] | J/mol×K | [600.51; 790.22] |
|
| Cp,gas | 434.90 | J/mol×K | 600.51 | Joback Calculated Property |
| Cp,gas | 448.89 | J/mol×K | 632.13 | Joback Calculated Property |
| Cp,gas | 462.14 | J/mol×K | 663.75 | Joback Calculated Property |
| Cp,gas | 474.71 | J/mol×K | 695.37 | Joback Calculated Property |
| Cp,gas | 486.61 | J/mol×K | 726.99 | Joback Calculated Property |
| Cp,gas | 497.90 | J/mol×K | 758.60 | Joback Calculated Property |
| Cp,gas | 508.61 | J/mol×K | 790.22 | Joback Calculated Property |
| η | [0.0001588; 0.0018676] | Pa×s | [354.25; 600.51] |
|
| η | 0.0018676 | Pa×s | 354.25 | Joback Calculated Property |
| η | 0.0010006 | Pa×s | 395.29 | Joback Calculated Property |
| η | 0.0006029 | Pa×s | 436.34 | Joback Calculated Property |
| η | 0.0003963 | Pa×s | 477.38 | Joback Calculated Property |
| η | 0.0002784 | Pa×s | 518.42 | Joback Calculated Property |
| η | 0.0002060 | Pa×s | 559.47 | Joback Calculated Property |
| η | 0.0001588 | Pa×s | 600.51 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to 4-Decenoic acid, 3-methyl-, (E)-.
Sources
- Cheméo Relay (1.0)
- Cheméo Relay (1.0, beta) Beta: served but experimental, data-limited and below our cross-validation release bar; the Joback value is recommended where available.
- Crippen Method
- Crippen Method
- Joback Method
- McGowan Method
- NIST Webbook
Note: Cheméo is only indexing the data, follow the source links to retrieve the latest data. The source is also providing more information like the publication year, authors and more.
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