- InChI
- InChI=1S/C18H28O4/c1-3-9-16(4-2)22-18(20)13-8-12-17(19)21-14-15-10-6-5-7-11-15/h3-4,15-16H,1-2,5-14H2
- InChI Key
- AUPQGTKDTVLKTM-UHFFFAOYSA-N
- Formula
- C18H28O4
- SMILES
-
C=CCC(C=C)OC(=O)CCCC(=O)OCC1CC
CCC1 - Molecular Weight1
- 308.41
- 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° | -169.47 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -604.55 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 33.70 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 72.67 | kJ/mol | Joback Calculated Property |
| log10WS | -4.55 | Crippen Calculated Property | |
| logPoct/wat | 3.954 | Crippen Calculated Property | |
| McVol | 259.900 | ml/mol | McGowan Calculated Property |
| Pc | 1529.46 | kPa | Joback Calculated Property |
| Inp | [2105.00; 2105.00] |
|
|
| Inp | 2105.00 | NIST | |
| Inp | 2105.00 | NIST | |
| Tboil | 776.29 | K | Joback Calculated Property |
| Tc | 977.84 | K | Joback Calculated Property |
| Tfus | 425.80 | K | Joback Calculated Property |
| Vc | 0.981 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [794.10; 884.16] | J/mol×K | [776.29; 977.84] |
|
| Cp,gas | 794.10 | J/mol×K | 776.29 | Joback Calculated Property |
| Cp,gas | 812.05 | J/mol×K | 809.88 | Joback Calculated Property |
| Cp,gas | 828.78 | J/mol×K | 843.47 | Joback Calculated Property |
| Cp,gas | 844.33 | J/mol×K | 877.06 | Joback Calculated Property |
| Cp,gas | 858.73 | J/mol×K | 910.66 | Joback Calculated Property |
| Cp,gas | 872.00 | J/mol×K | 944.25 | Joback Calculated Property |
| Cp,gas | 884.16 | J/mol×K | 977.84 | Joback Calculated Property |
| η | [0.0000765; 0.0014480] | Pa×s | [425.80; 776.29] |
|
| η | 0.0014480 | Pa×s | 425.80 | Joback Calculated Property |
| η | 0.0006599 | Pa×s | 484.21 | Joback Calculated Property |
| η | 0.0003562 | Pa×s | 542.63 | Joback Calculated Property |
| η | 0.0002167 | Pa×s | 601.04 | Joback Calculated Property |
| η | 0.0001440 | Pa×s | 659.46 | Joback Calculated Property |
| η | 0.0001023 | Pa×s | 717.88 | Joback Calculated Property |
| η | 0.0000765 | Pa×s | 776.29 | Joback Calculated Property |
Similar Compounds
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Sources
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