- InChI
- InChI=1S/C27H36O5/c1-2-3-4-5-6-12-20-30-26(28)18-10-11-19-27(29)31-22-23-14-13-17-25(21-23)32-24-15-8-7-9-16-24/h7-9,13-17,21H,2-6,10-12,18-20,22H2,1H3
- InChI Key
- PAMLPZXIVVYYPV-UHFFFAOYSA-N
- Formula
- C27H36O5
- SMILES
-
CCCCCCCCOC(=O)CCCCC(=O)OCc1ccc
c(Oc2ccccc2)c1 - Molecular Weight1
- 440.57
- 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° | -181.19 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -760.84 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 60.14 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 101.63 | kJ/mol | Joback Calculated Property |
| log10WS | -7.57 | Crippen Calculated Property | |
| logPoct/wat | 6.986 | Crippen Calculated Property | |
| McVol | 364.520 | ml/mol | McGowan Calculated Property |
| Pc | 1048.69 | kPa | Joback Calculated Property |
| Inp | [3292.00; 3292.00] |
|
|
| Inp | 3292.00 | NIST | |
| Inp | 3292.00 | NIST | |
| Tboil | 1050.50 | K | Joback Calculated Property |
| Tc | 1286.11 | K | Joback Calculated Property |
| Tfus | 625.96 | K | Joback Calculated Property |
| Vc | 1.397 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [1225.77; 1281.71] | J/mol×K | [1050.50; 1286.11] |
|
| Cp,gas | 1225.77 | J/mol×K | 1050.50 | Joback Calculated Property |
| Cp,gas | 1239.28 | J/mol×K | 1089.77 | Joback Calculated Property |
| Cp,gas | 1251.04 | J/mol×K | 1129.04 | Joback Calculated Property |
| Cp,gas | 1261.11 | J/mol×K | 1168.31 | Joback Calculated Property |
| Cp,gas | 1269.54 | J/mol×K | 1207.57 | Joback Calculated Property |
| Cp,gas | 1276.39 | J/mol×K | 1246.84 | Joback Calculated Property |
| Cp,gas | 1281.71 | J/mol×K | 1286.11 | Joback Calculated Property |
| η | [0.0000149; 0.0001654] | Pa×s | [625.96; 1050.50] |
|
| η | 0.0001654 | Pa×s | 625.96 | Joback Calculated Property |
| η | 0.0000904 | Pa×s | 696.72 | Joback Calculated Property |
| η | 0.0000552 | Pa×s | 767.47 | Joback Calculated Property |
| η | 0.0000366 | Pa×s | 838.23 | Joback Calculated Property |
| η | 0.0000259 | Pa×s | 908.99 | Joback Calculated Property |
| η | 0.0000193 | Pa×s | 979.74 | Joback Calculated Property |
| η | 0.0000149 | Pa×s | 1050.50 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Adipic acid, octyl 3-phenoxybenzyl ester.
Sources
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