- InChI
- InChI=1S/C17H30O4/c1-6-7-8-9-10-14(4)20-16(18)11-12-17(19)21-15(5)13(2)3/h11-15H,6-10H2,1-5H3/b12-11+
- InChI Key
- XWQMQTZUKFZXCA-VAWYXSNFSA-N
- Formula
- C17H30O4
- SMILES
-
CCCCCCC(C)OC(=O)C=CC(=O)OC(C)C
(C)C - Molecular Weight1
- 298.42
- 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° | -302.68 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -782.43 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 34.99 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 70.54 | kJ/mol | Joback Calculated Property |
| log10WS | -4.50 | Crippen Calculated Property | |
| logPoct/wat | 4.032 | Crippen Calculated Property | |
| McVol | 260.970 | ml/mol | McGowan Calculated Property |
| Pc | 1390.22 | kPa | Joback Calculated Property |
| Inp | [1895.00; 1895.00] |
|
|
| Inp | 1895.00 | NIST | |
| Inp | 1895.00 | NIST | |
| Tboil | 743.78 | K | Joback Calculated Property |
| Tc | 930.72 | K | Joback Calculated Property |
| Tfus | 375.59 | K | Joback Calculated Property |
| Vc | 0.998 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [768.78; 857.44] | J/mol×K | [743.78; 930.72] |
|
| Cp,gas | 768.78 | J/mol×K | 743.78 | Joback Calculated Property |
| Cp,gas | 785.82 | J/mol×K | 774.94 | Joback Calculated Property |
| Cp,gas | 801.94 | J/mol×K | 806.09 | Joback Calculated Property |
| Cp,gas | 817.13 | J/mol×K | 837.25 | Joback Calculated Property |
| Cp,gas | 831.44 | J/mol×K | 868.41 | Joback Calculated Property |
| Cp,gas | 844.87 | J/mol×K | 899.56 | Joback Calculated Property |
| Cp,gas | 857.44 | J/mol×K | 930.72 | Joback Calculated Property |
| η | [0.0000550; 0.0020291] | Pa×s | [375.59; 743.78] |
|
| η | 0.0020291 | Pa×s | 375.59 | Joback Calculated Property |
| η | 0.0007291 | Pa×s | 436.96 | Joback Calculated Property |
| η | 0.0003371 | Pa×s | 498.32 | Joback Calculated Property |
| η | 0.0001846 | Pa×s | 559.68 | Joback Calculated Property |
| η | 0.0001138 | Pa×s | 621.05 | Joback Calculated Property |
| η | 0.0000766 | Pa×s | 682.41 | Joback Calculated Property |
| η | 0.0000550 | Pa×s | 743.78 | Joback Calculated Property |
Similar Compounds
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Sources
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