- InChI
- InChI=1S/C14H18O4/c1-3-17-13(15)12(14(16)18-4-2)10-11-8-6-5-7-9-11/h5-9,12H,3-4,10H2,1-2H3
- InChI Key
- ICZLTZWATFXDLP-UHFFFAOYSA-N
- Formula
- C14H18O4
- SMILES
- CCOC(=O)C(Cc1ccccc1)C(=O)OCC
- Molecular Weight1
- 250.29
- CAS
- 607-81-8
- Other Names
-
- Diethyl benzylmalonate
- Benzylmalonic acid diethyl ester
- Malonic acid, benzyl-, diethyl ester
- Malonic acid, 2-benzyl-, diethyl ester
- 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).
- 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 |
|---|---|---|---|
| ΔfG° | -290.87 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -590.64 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 28.11 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 66.96 | kJ/mol | Joback Calculated Property |
| log10WS | -2.27 | Crippen Calculated Property | |
| logPoct/wat | 1.971 | Crippen Calculated Property | |
| McVol | 199.240 | ml/mol | McGowan Calculated Property |
| Pc | 2202.08 | kPa | Joback Calculated Property |
| Tboil | 573.20 | K | NIST |
| Tc | 907.17 | K | Joback Calculated Property |
| Tfus | 403.28 | K | Joback Calculated Property |
| Vc | 0.753 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [541.37; 615.97] | J/mol×K | [698.54; 907.17] | 
|
| Cp,gas | 541.37 | J/mol×K | 698.54 | Joback Calculated Property |
| Cp,gas | 556.16 | J/mol×K | 733.31 | Joback Calculated Property |
| Cp,gas | 569.99 | J/mol×K | 768.08 | Joback Calculated Property |
| Cp,gas | 582.87 | J/mol×K | 802.86 | Joback Calculated Property |
| Cp,gas | 594.82 | J/mol×K | 837.63 | Joback Calculated Property |
| Cp,gas | 605.85 | J/mol×K | 872.40 | Joback Calculated Property |
| Cp,gas | 615.97 | J/mol×K | 907.17 | Joback Calculated Property |
| η | [0.0001106; 0.0014220] | Pa×s | [403.28; 698.54] |
|
| η | 0.0014220 | Pa×s | 403.28 | Joback Calculated Property |
| η | 0.0007371 | Pa×s | 452.49 | Joback Calculated Property |
| η | 0.0004347 | Pa×s | 501.70 | Joback Calculated Property |
| η | 0.0002817 | Pa×s | 550.91 | Joback Calculated Property |
| η | 0.0001960 | Pa×s | 600.12 | Joback Calculated Property |
| η | 0.0001441 | Pa×s | 649.33 | Joback Calculated Property |
| η | 0.0001106 | Pa×s | 698.54 | Joback Calculated Property |
Pressure Dependent Properties
| Property | Value | Unit | Pressure (kPa) | Source |
|---|---|---|---|---|
| Tboilr | [435.70; 442.20] | K | [1.30; 1.60] |
|
| Tboilr | 435.70 | K | 1.30 | NIST |
| Tboilr | 442.20 | K | 1.60 | NIST |
Similar Compounds
Find more compounds similar to Propanedioic acid, (phenylmethyl)-, diethyl ester.
Sources
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