- InChI
- InChI=1S/C13H20O4/c1-17-13(16)10-6-4-2-3-5-8-12(15)9-7-11-14/h7,9,11H,2-6,8,10H2,1H3/b9-7+
- InChI Key
- NZAZBXXLAVAPII-VQHVLOKHSA-N
- Formula
- C13H20O4
- SMILES
- COC(=O)CCCCCCCC(=O)C=CC=O
- Molecular Weight1
- 240.30
- 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° | -323.56 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -637.39 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 36.30 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 67.11 | kJ/mol | Joback Calculated Property |
| log10WS | -2.54 | Crippen Calculated Property | |
| logPoct/wat | 2.214 | Crippen Calculated Property | |
| McVol | 200.310 | ml/mol | McGowan Calculated Property |
| Pc | 2009.10 | kPa | Joback Calculated Property |
| Inp | 1963.00 | NIST | |
| Tboil | 679.82 | K | Joback Calculated Property |
| Tc | 866.51 | K | Joback Calculated Property |
| Tfus | 395.28 | K | Joback Calculated Property |
| Vc | 0.790 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [539.58; 609.96] | J/mol×K | [679.82; 866.51] | 
|
| Cp,gas | 539.58 | J/mol×K | 679.82 | Joback Calculated Property |
| Cp,gas | 553.01 | J/mol×K | 710.93 | Joback Calculated Property |
| Cp,gas | 565.72 | J/mol×K | 742.05 | Joback Calculated Property |
| Cp,gas | 577.76 | J/mol×K | 773.16 | Joback Calculated Property |
| Cp,gas | 589.13 | J/mol×K | 804.28 | Joback Calculated Property |
| Cp,gas | 599.85 | J/mol×K | 835.39 | Joback Calculated Property |
| Cp,gas | 609.96 | J/mol×K | 866.51 | Joback Calculated Property |
| η | [0.0001657; 0.0019280] | Pa×s | [395.28; 679.82] |
|
| η | 0.0019280 | Pa×s | 395.28 | Joback Calculated Property |
| η | 0.0010287 | Pa×s | 442.70 | Joback Calculated Property |
| η | 0.0006199 | Pa×s | 490.13 | Joback Calculated Property |
| η | 0.0004084 | Pa×s | 537.55 | Joback Calculated Property |
| η | 0.0002879 | Pa×s | 584.97 | Joback Calculated Property |
| η | 0.0002139 | Pa×s | 632.40 | Joback Calculated Property |
| η | 0.0001657 | Pa×s | 679.82 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to (E)-10-Dodecenoic acid, 9,12-dioxo, methyl ester, # 1.
Sources
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