- InChI
- InChI=1S/C17H30O4/c1-6-7-8-9-10-13-20-15(18)11-12-16(19)21-14(2)17(3,4)5/h11-12,14H,6-10,13H2,1-5H3/b12-11+
- InChI Key
- FYVHESKGQREFNT-VAWYXSNFSA-N
- Formula
- C17H30O4
- SMILES
-
CCCCCCCOC(=O)C=CC(=O)OC(C)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° | -294.96 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -780.62 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 34.62 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 70.02 | kJ/mol | Joback Calculated Property |
| log10WS | -4.39 | Crippen Calculated Property | |
| logPoct/wat | 4.034 | Crippen Calculated Property | |
| McVol | 260.970 | ml/mol | McGowan Calculated Property |
| Pc | 1393.33 | kPa | Joback Calculated Property |
| Inp | [1943.00; 1943.00] |
|
|
| Inp | 1943.00 | NIST | |
| Inp | 1943.00 | NIST | |
| Tboil | 741.43 | K | Joback Calculated Property |
| Tc | 930.07 | K | Joback Calculated Property |
| Tfus | 408.01 | K | Joback Calculated Property |
| Vc | 0.999 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [769.66; 857.68] | J/mol×K | [741.43; 930.07] |
|
| Cp,gas | 769.66 | J/mol×K | 741.43 | Joback Calculated Property |
| Cp,gas | 786.58 | J/mol×K | 772.87 | Joback Calculated Property |
| Cp,gas | 802.55 | J/mol×K | 804.31 | Joback Calculated Property |
| Cp,gas | 817.62 | J/mol×K | 835.75 | Joback Calculated Property |
| Cp,gas | 831.80 | J/mol×K | 867.19 | Joback Calculated Property |
| Cp,gas | 845.15 | J/mol×K | 898.63 | Joback Calculated Property |
| Cp,gas | 857.68 | J/mol×K | 930.07 | Joback Calculated Property |
| η | [0.0000533; 0.0013055] | Pa×s | [408.01; 741.43] |
|
| η | 0.0013055 | Pa×s | 408.01 | Joback Calculated Property |
| η | 0.0005565 | Pa×s | 463.58 | Joback Calculated Property |
| η | 0.0002847 | Pa×s | 519.15 | Joback Calculated Property |
| η | 0.0001658 | Pa×s | 574.72 | Joback Calculated Property |
| η | 0.0001062 | Pa×s | 630.29 | Joback Calculated Property |
| η | 0.0000732 | Pa×s | 685.86 | Joback Calculated Property |
| η | 0.0000533 | Pa×s | 741.43 | Joback Calculated Property |
Similar Compounds
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Sources
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