- InChI
- InChI=1S/C25H32O4/c1-3-25(4-2,23(26)28-19-11-17-21-13-7-5-8-14-21)24(27)29-20-12-18-22-15-9-6-10-16-22/h5-10,13-16H,3-4,11-12,17-20H2,1-2H3
- InChI Key
- LZULVRCRCYLJAK-UHFFFAOYSA-N
- Formula
- C25H32O4
- SMILES
-
CCC(CC)(C(=O)OCCCc1ccccc1)C(=O
)OCCCc1ccccc1 - Molecular Weight1
- 396.52
- ω : Acentric Factor.
- 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).
- IE : Ionization energy (eV).
- 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 |
|---|---|---|---|
| ω | 0.9229 | Relay (1.0) Calculated Property | |
| ΔfG° | -233.46 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -657.94 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 49.91 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 127.12 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 8.56 | eV | Relay (1.0) Calculated Property |
| log10WS | -5.38 | Relay (1.0) Calculated Property | |
| logPoct/wat | 5.145 | Crippen Calculated Property | |
| McVol | 330.470 | ml/mol | McGowan Calculated Property |
| Pc | 1167.22 | kPa | Joback Calculated Property |
| Inp | [2847.00; 2847.00] |
|
|
| Inp | 2847.00 | NIST | |
| Inp | 2847.00 | NIST | |
| Tboil | 693.72 | K | Relay (1.0) Calculated Property |
| Tc | 925.23 | K | Relay (1.0) Calculated Property |
| Tfus | 329.45 | K | Relay (1.0) Calculated Property |
| Vc | 1.185 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [1065.52; 1135.81] | J/mol×K | [938.17; 1159.98] |
|
| Cp,gas | 1065.52 | J/mol×K | 938.17 | Joback Calculated Property |
| Cp,gas | 1080.48 | J/mol×K | 975.14 | Joback Calculated Property |
| Cp,gas | 1094.02 | J/mol×K | 1012.11 | Joback Calculated Property |
| Cp,gas | 1106.24 | J/mol×K | 1049.08 | Joback Calculated Property |
| Cp,gas | 1117.21 | J/mol×K | 1086.05 | Joback Calculated Property |
| Cp,gas | 1127.04 | J/mol×K | 1123.02 | Joback Calculated Property |
| Cp,gas | 1135.81 | J/mol×K | 1159.98 | Joback Calculated Property |
| η | [0.0000155; 0.0004371] | Pa×s | [511.43; 938.17] |
|
| η | 0.0004371 | Pa×s | 511.43 | Joback Calculated Property |
| η | 0.0001785 | Pa×s | 582.55 | Joback Calculated Property |
| η | 0.0000886 | Pa×s | 653.68 | Joback Calculated Property |
| η | 0.0000504 | Pa×s | 724.80 | Joback Calculated Property |
| η | 0.0000318 | Pa×s | 795.92 | Joback Calculated Property |
| η | 0.0000216 | Pa×s | 867.05 | Joback Calculated Property |
| η | 0.0000155 | Pa×s | 938.17 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Diethylmalonic acid, di(3-phenylpropyl) ester.
Sources
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