- InChI
- InChI=1S/C21H30O5/c1-3-16-25-20(23)14-8-6-4-5-7-9-15-21(24)26-19-13-11-10-12-18(19)17(2)22/h10-13H,3-9,14-16H2,1-2H3
- InChI Key
- NMJVGLMQOWZNRK-UHFFFAOYSA-N
- Formula
- C21H30O5
- SMILES
-
CCCOC(=O)CCCCCCCCC(=O)Oc1ccccc
1C(C)=O - Molecular Weight1
- 362.46
- 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° | -368.04 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -853.89 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 50.97 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 90.34 | kJ/mol | Joback Calculated Property |
| log10WS | -5.91 | Crippen Calculated Property | |
| logPoct/wat | 4.869 | Crippen Calculated Property | |
| McVol | 299.440 | ml/mol | McGowan Calculated Property |
| Pc | 1309.90 | kPa | Joback Calculated Property |
| Inp | 2712.00 | NIST | |
| Tboil | 917.99 | K | Joback Calculated Property |
| Tc | 1128.26 | K | Joback Calculated Property |
| Tfus | 559.62 | K | Joback Calculated Property |
| Vc | 1.157 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [953.25; 1021.96] | J/mol×K | [917.99; 1128.26] | 
|
| Cp,gas | 953.25 | J/mol×K | 917.99 | Joback Calculated Property |
| Cp,gas | 967.76 | J/mol×K | 953.03 | Joback Calculated Property |
| Cp,gas | 981.01 | J/mol×K | 988.08 | Joback Calculated Property |
| Cp,gas | 993.02 | J/mol×K | 1023.12 | Joback Calculated Property |
| Cp,gas | 1003.84 | J/mol×K | 1058.17 | Joback Calculated Property |
| Cp,gas | 1013.48 | J/mol×K | 1093.21 | Joback Calculated Property |
| Cp,gas | 1021.96 | J/mol×K | 1128.26 | Joback Calculated Property |
| η | [0.0000454; 0.0004391] | Pa×s | [559.62; 917.99] |
|
| η | 0.0004391 | Pa×s | 559.62 | Joback Calculated Property |
| η | 0.0002507 | Pa×s | 619.35 | Joback Calculated Property |
| η | 0.0001580 | Pa×s | 679.08 | Joback Calculated Property |
| η | 0.0001072 | Pa×s | 738.80 | Joback Calculated Property |
| η | 0.0000772 | Pa×s | 798.53 | Joback Calculated Property |
| η | 0.0000581 | Pa×s | 858.26 | Joback Calculated Property |
| η | 0.0000454 | Pa×s | 917.99 | Joback Calculated Property |
Similar Compounds
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Sources
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