- InChI
- InChI=1S/C15H20O4/c1-8-9-4-6-14(2)10(16)5-7-15(3,18)12(14)11(9)19-13(8)17/h5,7-9,11-12,18H,4,6H2,1-3H3
- InChI Key
- NGPDZEACIWDCKX-UHFFFAOYSA-N
- Formula
- C15H20O4
- SMILES
-
CC1C(=O)OC2C1CCC1(C)C(=O)C=CC(
C)(O)C21 - Molecular Weight1
- 264.32
- CAS
- 1275525-60-4
- 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° | -263.00 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -691.56 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 23.54 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 76.16 | kJ/mol | Joback Calculated Property |
| log10WS | -2.30 | Crippen Calculated Property | |
| logPoct/wat | 1.470 | Crippen Calculated Property | |
| McVol | 200.210 | ml/mol | McGowan Calculated Property |
| Pc | 2530.27 | kPa | Joback Calculated Property |
| Inp | [2159.70; 2159.70] |
|
|
| Inp | 2159.70 | NIST | |
| Inp | 2159.70 | NIST | |
| Tboil | 820.30 | K | Joback Calculated Property |
| Tc | 1059.26 | K | Joback Calculated Property |
| Tfus | 558.22 | K | Joback Calculated Property |
| Vc | 0.748 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [687.56; 811.69] | J/mol×K | [820.30; 1059.26] |
|
| Cp,gas | 687.56 | J/mol×K | 820.30 | Joback Calculated Property |
| Cp,gas | 707.76 | J/mol×K | 860.13 | Joback Calculated Property |
| Cp,gas | 727.84 | J/mol×K | 899.95 | Joback Calculated Property |
| Cp,gas | 748.03 | J/mol×K | 939.78 | Joback Calculated Property |
| Cp,gas | 768.57 | J/mol×K | 979.60 | Joback Calculated Property |
| Cp,gas | 789.71 | J/mol×K | 1019.43 | Joback Calculated Property |
| Cp,gas | 811.69 | J/mol×K | 1059.26 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to 4-Epipallensin.
Sources
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