- InChI
- InChI=1S/C26H34O5/c1-2-20-29-25(27)14-10-5-3-4-6-11-15-26(28)30-21-22-16-18-24(19-17-22)31-23-12-8-7-9-13-23/h7-9,12-13,16-19H,2-6,10-11,14-15,20-21H2,1H3
- InChI Key
- NBHFLUCFRQJSST-UHFFFAOYSA-N
- Formula
- C26H34O5
- SMILES
-
CCCOC(=O)CCCCCCCCC(=O)OCc1ccc(
Oc2ccccc2)cc1 - Molecular Weight1
- 426.55
- 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° | -189.61 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -740.20 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 57.55 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 99.41 | kJ/mol | Joback Calculated Property |
| log10WS | -7.15 | Crippen Calculated Property | |
| logPoct/wat | 6.596 | Crippen Calculated Property | |
| McVol | 350.430 | ml/mol | McGowan Calculated Property |
| Pc | 1117.06 | kPa | Joback Calculated Property |
| Inp | [3250.00; 3250.00] |
|
|
| Inp | 3250.00 | NIST | |
| Inp | 3250.00 | NIST | |
| Tboil | 1027.62 | K | Joback Calculated Property |
| Tc | 1258.56 | K | Joback Calculated Property |
| Tfus | 614.69 | K | Joback Calculated Property |
| Vc | 1.341 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [1164.89; 1221.93] | J/mol×K | [1027.62; 1258.56] |
|
| Cp,gas | 1164.89 | J/mol×K | 1027.62 | Joback Calculated Property |
| Cp,gas | 1178.39 | J/mol×K | 1066.11 | Joback Calculated Property |
| Cp,gas | 1190.24 | J/mol×K | 1104.60 | Joback Calculated Property |
| Cp,gas | 1200.46 | J/mol×K | 1143.09 | Joback Calculated Property |
| Cp,gas | 1209.12 | J/mol×K | 1181.58 | Joback Calculated Property |
| Cp,gas | 1216.26 | J/mol×K | 1220.07 | Joback Calculated Property |
| Cp,gas | 1221.93 | J/mol×K | 1258.56 | Joback Calculated Property |
| η | [0.0000174; 0.0001870] | Pa×s | [614.69; 1027.62] |
|
| η | 0.0001870 | Pa×s | 614.69 | Joback Calculated Property |
| η | 0.0001032 | Pa×s | 683.51 | Joback Calculated Property |
| η | 0.0000634 | Pa×s | 752.33 | Joback Calculated Property |
| η | 0.0000423 | Pa×s | 821.15 | Joback Calculated Property |
| η | 0.0000301 | Pa×s | 889.98 | Joback Calculated Property |
| η | 0.0000224 | Pa×s | 958.80 | Joback Calculated Property |
| η | 0.0000174 | Pa×s | 1027.62 | Joback Calculated Property |
Similar Compounds
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Sources
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