- InChI
- InChI=1S/C18H30O4/c1-3-5-7-8-9-10-11-12-16-22-18(20)14-13-17(19)21-15-6-4-2/h9-10,13-14H,3-8,11-12,15-16H2,1-2H3/b10-9+,14-13+
- InChI Key
- MDILIVJRHIQEBO-LBSPPQMYSA-N
- Formula
- C18H30O4
- SMILES
- CCCCCC=CCCCOC(=O)C=CC(=O)OCCCC
- Molecular Weight1
- 310.43
- ω : Acentric Factor.
- 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).
- IE : Ionization energy (eV).
- 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 |
|---|---|---|---|
| ω | 0.8764 | Relay (... Calculated Property | |
| ΔfG° | -206.72 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -869.35 | kJ/mol | Relay (... Calculated Property |
| ΔfusH° | 48.35 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 96.11 | kJ/mol | Relay (... Calculated Property |
| IE | 9.22 | eV | Relay (... Calculated Property |
| log10WS | -5.20 | Relay (... Calculated Property | |
| logPoct/wat | 4.346 | Crippen Calculated Property | |
| McVol | 270.760 | ml/mol | McGowan Calculated Property |
| Pc | 1322.31 | kPa | Joback Calculated Property |
| Inp | [2159.00; 2159.00] |
|
|
| Inp | 2159.00 | NIST | |
| Inp | 2159.00 | NIST | |
| Tboil | 595.85 | K | Relay (... Calculated Property |
| Tc | 763.60 | K | Relay (... Calculated Property |
| Tfus | 251.87 | K | Relay (... Calculated Property |
| Vc | 0.992 | m3/kmol | Relay (... Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [800.69; 886.32] | J/mol×K | [772.14; 958.03] |
|
| Cp,gas | 800.69 | J/mol×K | 772.14 | Joback Calculated Property |
| Cp,gas | 817.04 | J/mol×K | 803.12 | Joback Calculated Property |
| Cp,gas | 832.51 | J/mol×K | 834.10 | Joback Calculated Property |
| Cp,gas | 847.15 | J/mol×K | 865.08 | Joback Calculated Property |
| Cp,gas | 860.98 | J/mol×K | 896.06 | Joback Calculated Property |
| Cp,gas | 874.02 | J/mol×K | 927.05 | Joback Calculated Property |
| Cp,gas | 886.32 | J/mol×K | 958.03 | Joback Calculated Property |
| η | [0.0000531; 0.0008949] | Pa×s | [426.78; 772.14] |
|
| η | 0.0008949 | Pa×s | 426.78 | Joback Calculated Property |
| η | 0.0004226 | Pa×s | 484.34 | Joback Calculated Property |
| η | 0.0002341 | Pa×s | 541.90 | Joback Calculated Property |
| η | 0.0001452 | Pa×s | 599.46 | Joback Calculated Property |
| η | 0.0000979 | Pa×s | 657.02 | Joback Calculated Property |
| η | 0.0000704 | Pa×s | 714.58 | Joback Calculated Property |
| η | 0.0000531 | Pa×s | 772.14 | Joback Calculated Property |
Similar Compounds
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Sources
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