- InChI
- InChI=1S/C13H16O5/c1-2-18-13(17)8-5-9(14)11(10(15)6-8)12(16)7-3-4-7/h7-8,16H,2-6H2,1H3/b12-11-
- InChI Key
- RVKCCVTVZORVGD-QXMHVHEDSA-N
- Formula
- C13H16O5
- SMILES
-
CCOC(=O)C1CC(=O)C(=C(O)C2CC2)C
(=O)C1 - Molecular Weight1
- 252.26
- CAS
- 95266-40-3
- Other Names
-
- Ethyl 4-(cyclopropyl-hydroxy-methylene)-3,5-dioxo-cyclohexane-1-carboxylate
- Cp,gas : Ideal gas heat capacity (J/mol×K).
- 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° | -435.23 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -790.72 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 24.30 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 80.07 | kJ/mol | Joback Calculated Property |
| log10WS | -1.67 | Crippen Calculated Property | |
| logPoct/wat | 1.320 | Crippen Calculated Property | |
| McVol | 184.460 | ml/mol | McGowan Calculated Property |
| Pc | 2802.44 | kPa | Joback Calculated Property |
| Inp | 2027.00 | NIST | |
| Tboil | 833.76 | K | Joback Calculated Property |
| Tc | 1059.77 | K | Joback Calculated Property |
| Tfus | 527.41 | K | Joback Calculated Property |
| Vc | 0.695 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [594.76; 657.14] | J/mol×K | [833.76; 1059.77] | 
|
| Cp,gas | 594.76 | J/mol×K | 833.76 | Joback Calculated Property |
| Cp,gas | 608.26 | J/mol×K | 871.43 | Joback Calculated Property |
| Cp,gas | 620.53 | J/mol×K | 909.10 | Joback Calculated Property |
| Cp,gas | 631.56 | J/mol×K | 946.76 | Joback Calculated Property |
| Cp,gas | 641.34 | J/mol×K | 984.43 | Joback Calculated Property |
| Cp,gas | 649.87 | J/mol×K | 1022.10 | Joback Calculated Property |
| Cp,gas | 657.14 | J/mol×K | 1059.77 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Trinexapac-ethyl.
Sources
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