- InChI
- InChI=1S/C26H34O5/c1-4-7-8-12-18-29-24(27)26(5-2,6-3)25(28)30-20-21-14-13-17-23(19-21)31-22-15-10-9-11-16-22/h9-11,13-17,19H,4-8,12,18,20H2,1-3H3
- InChI Key
- PBHPRZHXPIQMDK-UHFFFAOYSA-N
- Formula
- C26H34O5
- SMILES
-
CCCCCCOC(=O)C(CC)(CC)C(=O)OCc1
cccc(Oc2ccccc2)c1 - 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° | -186.77 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -748.95 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 50.14 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 98.11 | kJ/mol | Joback Calculated Property |
| log10WS | -6.91 | Crippen Calculated Property | |
| logPoct/wat | 6.452 | Crippen Calculated Property | |
| McVol | 350.430 | ml/mol | McGowan Calculated Property |
| Pc | 1131.38 | kPa | Joback Calculated Property |
| Inp | [2894.00; 2894.00] |
|
|
| Inp | 2894.00 | NIST | |
| Inp | 2894.00 | NIST | |
| Tboil | 1024.39 | K | Joback Calculated Property |
| Tc | 1256.50 | K | Joback Calculated Property |
| Tfus | 617.11 | K | Joback Calculated Property |
| Vc | 1.331 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [1165.12; 1226.70] | J/mol×K | [1024.39; 1256.50] |
|
| Cp,gas | 1165.12 | J/mol×K | 1024.39 | Joback Calculated Property |
| Cp,gas | 1178.92 | J/mol×K | 1063.08 | Joback Calculated Property |
| Cp,gas | 1191.21 | J/mol×K | 1101.76 | Joback Calculated Property |
| Cp,gas | 1202.05 | J/mol×K | 1140.45 | Joback Calculated Property |
| Cp,gas | 1211.54 | J/mol×K | 1179.13 | Joback Calculated Property |
| Cp,gas | 1219.73 | J/mol×K | 1217.82 | Joback Calculated Property |
| Cp,gas | 1226.70 | J/mol×K | 1256.50 | Joback Calculated Property |
| η | [0.0000130; 0.0001582] | Pa×s | [617.11; 1024.39] |
|
| η | 0.0001582 | Pa×s | 617.11 | Joback Calculated Property |
| η | 0.0000849 | Pa×s | 684.99 | Joback Calculated Property |
| η | 0.0000510 | Pa×s | 752.87 | Joback Calculated Property |
| η | 0.0000333 | Pa×s | 820.75 | Joback Calculated Property |
| η | 0.0000232 | Pa×s | 888.63 | Joback Calculated Property |
| η | 0.0000171 | Pa×s | 956.51 | Joback Calculated Property |
| η | 0.0000130 | Pa×s | 1024.39 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Diethylmalonic acid, hexyl 3-phenoxybenzyl ester.
Sources
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