- InChI
- InChI=1S/C22H34O5/c1-19(2)18-27-22(24)15-11-6-4-3-5-10-14-21(23)26-17-16-25-20-12-8-7-9-13-20/h7-9,12-13,19H,3-6,10-11,14-18H2,1-2H3
- InChI Key
- RCHRYLQSIBPXTK-UHFFFAOYSA-N
- Formula
- C22H34O5
- SMILES
-
CC(C)COC(=O)CCCCCCCCC(=O)OCCOc
1ccccc1 - Molecular Weight1
- 378.50
- 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° | -328.51 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -887.98 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 50.02 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 87.18 | kJ/mol | Joback Calculated Property |
| log10WS | -5.35 | Crippen Calculated Property | |
| logPoct/wat | 4.929 | Crippen Calculated Property | |
| McVol | 317.830 | ml/mol | McGowan Calculated Property |
| Pc | 1176.05 | kPa | Joback Calculated Property |
| Inp | [2744.00; 2744.00] |
|
|
| Inp | 2744.00 | NIST | |
| Inp | 2744.00 | NIST | |
| Tboil | 904.00 | K | Joback Calculated Property |
| Tc | 1109.92 | K | Joback Calculated Property |
| Tfus | 515.67 | K | Joback Calculated Property |
| Vc | 1.220 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [1028.12; 1105.10] | J/mol×K | [904.00; 1109.92] |
|
| Cp,gas | 1028.12 | J/mol×K | 904.00 | Joback Calculated Property |
| Cp,gas | 1044.26 | J/mol×K | 938.32 | Joback Calculated Property |
| Cp,gas | 1059.05 | J/mol×K | 972.64 | Joback Calculated Property |
| Cp,gas | 1072.50 | J/mol×K | 1006.96 | Joback Calculated Property |
| Cp,gas | 1084.65 | J/mol×K | 1041.28 | Joback Calculated Property |
| Cp,gas | 1095.51 | J/mol×K | 1075.60 | Joback Calculated Property |
| Cp,gas | 1105.10 | J/mol×K | 1109.92 | Joback Calculated Property |
| η | [0.0000276; 0.0004354] | Pa×s | [515.67; 904.00] |
|
| η | 0.0004354 | Pa×s | 515.67 | Joback Calculated Property |
| η | 0.0002127 | Pa×s | 580.39 | Joback Calculated Property |
| η | 0.0001200 | Pa×s | 645.11 | Joback Calculated Property |
| η | 0.0000751 | Pa×s | 709.83 | Joback Calculated Property |
| η | 0.0000509 | Pa×s | 774.56 | Joback Calculated Property |
| η | 0.0000366 | Pa×s | 839.28 | Joback Calculated Property |
| η | 0.0000276 | Pa×s | 904.00 | Joback Calculated Property |
Similar Compounds
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Sources
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