- InChI
- InChI=1S/C17H28O4/c1-13(2)14(3)21-17(19)11-7-10-16(18)20-12-15-8-5-4-6-9-15/h4-5,13-15H,6-12H2,1-3H3
- InChI Key
- BADOUWWRKUBXRJ-UHFFFAOYSA-N
- Formula
- C17H28O4
- SMILES
-
CC(C)C(C)OC(=O)CCCC(=O)OCC1CC=
CCC1 - Molecular Weight1
- 296.40
- 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° | -326.05 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -782.27 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 31.37 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 71.69 | kJ/mol | Joback Calculated Property |
| log10WS | -4.04 | Crippen Calculated Property | |
| logPoct/wat | 3.644 | Crippen Calculated Property | |
| McVol | 250.110 | ml/mol | McGowan Calculated Property |
| Pc | 1598.72 | kPa | Joback Calculated Property |
| Inp | [2045.00; 2045.00] |
|
|
| Inp | 2045.00 | NIST | |
| Inp | 2045.00 | NIST | |
| Tboil | 758.77 | K | Joback Calculated Property |
| Tc | 960.42 | K | Joback Calculated Property |
| Tfus | 403.81 | K | Joback Calculated Property |
| Vc | 0.943 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [761.93; 853.21] | J/mol×K | [758.77; 960.42] |
|
| Cp,gas | 761.93 | J/mol×K | 758.77 | Joback Calculated Property |
| Cp,gas | 780.10 | J/mol×K | 792.38 | Joback Calculated Property |
| Cp,gas | 797.07 | J/mol×K | 825.99 | Joback Calculated Property |
| Cp,gas | 812.85 | J/mol×K | 859.59 | Joback Calculated Property |
| Cp,gas | 827.45 | J/mol×K | 893.20 | Joback Calculated Property |
| Cp,gas | 840.90 | J/mol×K | 926.81 | Joback Calculated Property |
| Cp,gas | 853.21 | J/mol×K | 960.42 | Joback Calculated Property |
| η | [0.0000762; 0.0018483] | Pa×s | [403.81; 758.77] |
|
| η | 0.0018483 | Pa×s | 403.81 | Joback Calculated Property |
| η | 0.0007737 | Pa×s | 462.97 | Joback Calculated Property |
| η | 0.0003945 | Pa×s | 522.13 | Joback Calculated Property |
| η | 0.0002307 | Pa×s | 581.29 | Joback Calculated Property |
| η | 0.0001490 | Pa×s | 640.45 | Joback Calculated Property |
| η | 0.0001036 | Pa×s | 699.61 | Joback Calculated Property |
| η | 0.0000762 | Pa×s | 758.77 | Joback Calculated Property |
Similar Compounds
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Sources
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