- InChI
- InChI=1S/C21H36O7/c1-4-20(3)27-18-16-25-14-12-23-10-8-6-7-9-11-24-13-15-26-17-19-28-21(22)5-2/h4-5H,1-3,6-19H2
- InChI Key
- LUEDFVLPSDHLMG-UHFFFAOYSA-N
- Formula
- C21H36O7
- SMILES
-
C=CC(=C)OCCOCCOCCCCCCOCCOCCOC(
=O)C=C - Molecular Weight1
- 400.51
- ω : Acentric Factor.
- Cp,gas : Ideal gas heat capacity (J/mol×K).
- 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 | 1.1817 | Relay (1.0) Calculated Property | |
| ΔfG° | -378.01 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -1123.40 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 53.72 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 107.73 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 8.93 | eV | Relay (1.0) Calculated Property |
| log10WS | -2.87 | Relay (1.0) Calculated Property | |
| logPoct/wat | 3.059 | Crippen Calculated Property | |
| McVol | 330.640 | ml/mol | McGowan Calculated Property |
| Pc | 1012.95 | kPa | Joback Calculated Property |
| Inp | 2668.00 | NIST | |
| Tboil | 674.20 | K | Relay (1.0) Calculated Property |
| Tc | 828.55 | K | Relay (1.0) Calculated Property |
| Tfus | 253.07 | K | Relay (1.0) Calculated Property |
| Vc | 1.216 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [1049.43; 1134.90] | J/mol×K | [858.19; 1050.74] | 
|
| Cp,gas | 1049.43 | J/mol×K | 858.19 | Joback Calculated Property |
| Cp,gas | 1066.92 | J/mol×K | 890.28 | Joback Calculated Property |
| Cp,gas | 1083.13 | J/mol×K | 922.37 | Joback Calculated Property |
| Cp,gas | 1098.04 | J/mol×K | 954.47 | Joback Calculated Property |
| Cp,gas | 1111.65 | J/mol×K | 986.56 | Joback Calculated Property |
| Cp,gas | 1123.93 | J/mol×K | 1018.65 | Joback Calculated Property |
| Cp,gas | 1134.90 | J/mol×K | 1050.74 | Joback Calculated Property |
Similar Compounds
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Sources
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