- InChI
- InChI=1S/C18H30O6/c1-7-12(4)22-16(19)10-15(18(21)24-14(6)9-3)11-17(20)23-13(5)8-2/h10,12-14H,7-9,11H2,1-6H3/b15-10-
- InChI Key
- RNKDXUCWFNMDKW-GDNBJRDFSA-N
- Formula
- C18H30O6
- SMILES
-
CCC(C)OC(=O)C=C(CC(=O)OC(C)CC)
C(=O)OC(C)CC - Molecular Weight1
- 342.43
- CAS
- 111530-50-8
- Other Names
-
- Tri(sec-butyl) (1z)-1-propene-1,2,3-tricarboxylate
- Cp,gas : Ideal gas heat capacity (J/mol×K).
- 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).
- IE : Ionization energy (eV).
- logPoct/wat : Octanol/Water partition coefficient.
- McVol : McGowan's characteristic volume (ml/mol).
- Tboil : Normal Boiling Point Temperature (K).
- 1: Molecular weight from the IUPAC atomic weights tables.
Physical Properties
| Property | Value | Unit | Source |
|---|---|---|---|
| ΔfH°gas | -1311.83 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 43.81 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 86.96 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 9.24 | eV | Relay (1.0) Calculated Property |
| logPoct/wat | 3.328 | Crippen Calculated Property | |
| McVol | 282.500 | ml/mol | McGowan Calculated Property |
| Tboil | 585.95 | K | Relay (1.0) Calculated Property |
Cheméo can also estimate Normal melting (fusion) point, Critical Temperature, Critical Pressure, Critical Volume, 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 | [857.32; 936.64] | J/mol×K | [788.82; 978.75] | 
|
| Cp,gas | 857.32 | J/mol×K | 788.82 | Joback Calculated Property |
| Cp,gas | 873.35 | J/mol×K | 820.47 | Joback Calculated Property |
| Cp,gas | 888.24 | J/mol×K | 852.13 | Joback Calculated Property |
| Cp,gas | 902.00 | J/mol×K | 883.78 | Joback Calculated Property |
| Cp,gas | 914.64 | J/mol×K | 915.44 | Joback Calculated Property |
| Cp,gas | 926.18 | J/mol×K | 947.09 | Joback Calculated Property |
| Cp,gas | 936.64 | J/mol×K | 978.75 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to 1,2,3-Propenetricarboxylic acid, tris(1-methylpropyl) ester.
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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