- InChI
- InChI=1S/C17H16O4/c18-16(20-12-14-7-3-1-4-8-14)11-17(19)21-13-15-9-5-2-6-10-15/h1-10H,11-13H2
- InChI Key
- RYFCSKVXWRJEOB-UHFFFAOYSA-N
- Formula
- C17H16O4
- SMILES
-
O=C(CC(=O)OCc1ccccc1)OCc1ccccc
1 - Molecular Weight1
- 284.31
- CAS
- 15014-25-2
- Other Names
-
- Propanedioic acid, bis(phenylmethyl) ester
- 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).
- Tboil : Normal Boiling Point Temperature (K).
- Tboilr : Boiling point at reduced pressure (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 | 0.7130 | Relay (1.0) Calculated Property | |
| ΔfG° | -150.76 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -494.38 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 33.44 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 105.69 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 8.66 | eV | Relay (1.0) Calculated Property |
| log10WS | -3.64 | Relay (1.0) Calculated Property | |
| logPoct/wat | 2.863 | Crippen Calculated Property | |
| McVol | 217.750 | ml/mol | McGowan Calculated Property |
| Pc | 2276.24 | kPa | Joback Calculated Property |
| Tboil | 625.54 | K | Relay (1.0) Calculated Property |
| Tc | 876.03 | K | Relay (1.0) Calculated Property |
| Tfus | 284.33 | K | Relay (1.0) Calculated Property |
| Vc | 0.802 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [614.11; 679.59] | J/mol×K | [794.30; 1025.52] | 
|
| Cp,gas | 614.11 | J/mol×K | 794.30 | Joback Calculated Property |
| Cp,gas | 628.00 | J/mol×K | 832.84 | Joback Calculated Property |
| Cp,gas | 640.64 | J/mol×K | 871.37 | Joback Calculated Property |
| Cp,gas | 652.08 | J/mol×K | 909.91 | Joback Calculated Property |
| Cp,gas | 662.36 | J/mol×K | 948.45 | Joback Calculated Property |
| Cp,gas | 671.52 | J/mol×K | 986.98 | Joback Calculated Property |
| Cp,gas | 679.59 | J/mol×K | 1025.52 | Joback Calculated Property |
| η | [0.0000828; 0.0007896] | Pa×s | [478.51; 794.30] |
|
| η | 0.0007896 | Pa×s | 478.51 | Joback Calculated Property |
| η | 0.0004501 | Pa×s | 531.14 | Joback Calculated Property |
| η | 0.0002839 | Pa×s | 583.77 | Joback Calculated Property |
| η | 0.0001933 | Pa×s | 636.40 | Joback Calculated Property |
| η | 0.0001395 | Pa×s | 689.04 | Joback Calculated Property |
| η | 0.0001055 | Pa×s | 741.67 | Joback Calculated Property |
| η | 0.0000828 | Pa×s | 794.30 | Joback Calculated Property |
Pressure Dependent Properties
| Property | Value | Unit | Pressure (kPa) | Source |
|---|---|---|---|---|
| Tboilr | 461.20 | K | 0.03 | NIST |
Similar Compounds
Find more compounds similar to Dibenzyl malonate.
Sources
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