- InChI
- InChI=1S/C21H32O5/c1-3-16-25-20(22)14-8-6-4-5-7-9-15-21(23)26-17-18-12-10-11-13-19(18)24-2/h10-13H,3-9,14-17H2,1-2H3
- InChI Key
- ICERVUMVKHMWHN-UHFFFAOYSA-N
- Formula
- C21H32O5
- SMILES
-
CCCOC(=O)CCCCCCCCC(=O)OCc1cccc
c1OC - Molecular Weight1
- 364.48
- 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 | 1.0470 | Relay (1.0) Calculated Property | |
| ΔfG° | -344.12 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -960.84 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 50.56 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 106.48 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 8.31 | eV | Relay (1.0) Calculated Property |
| log10WS | -4.79 | Relay (1.0) Calculated Property | |
| logPoct/wat | 4.812 | Crippen Calculated Property | |
| McVol | 303.740 | ml/mol | McGowan Calculated Property |
| Pc | 1237.22 | kPa | Joback Calculated Property |
| Inp | 2693.00 | NIST | |
| Tboil | 649.89 | K | Relay (1.0) Calculated Property |
| Tc | 843.11 | K | Relay (1.0) Calculated Property |
| Tfus | 312.69 | K | Relay (1.0) Calculated Property |
| Vc | 1.141 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [966.74; 1042.80] | J/mol×K | [886.54; 1089.96] | 
|
| Cp,gas | 966.74 | J/mol×K | 886.54 | Joback Calculated Property |
| Cp,gas | 982.57 | J/mol×K | 920.44 | Joback Calculated Property |
| Cp,gas | 997.11 | J/mol×K | 954.35 | Joback Calculated Property |
| Cp,gas | 1010.40 | J/mol×K | 988.25 | Joback Calculated Property |
| Cp,gas | 1022.43 | J/mol×K | 1022.15 | Joback Calculated Property |
| Cp,gas | 1033.23 | J/mol×K | 1056.05 | Joback Calculated Property |
| Cp,gas | 1042.80 | J/mol×K | 1089.96 | Joback Calculated Property |
| η | [0.0000356; 0.0003742] | Pa×s | [531.92; 886.54] |
|
| η | 0.0003742 | Pa×s | 531.92 | Joback Calculated Property |
| η | 0.0002078 | Pa×s | 591.02 | Joback Calculated Property |
| η | 0.0001284 | Pa×s | 650.13 | Joback Calculated Property |
| η | 0.0000860 | Pa×s | 709.23 | Joback Calculated Property |
| η | 0.0000612 | Pa×s | 768.33 | Joback Calculated Property |
| η | 0.0000458 | Pa×s | 827.44 | Joback Calculated Property |
| η | 0.0000356 | Pa×s | 886.54 | Joback Calculated Property |
Similar Compounds
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Sources
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