- InChI
- InChI=1S/C18H18O4/c19-17(21-13-15-7-3-1-4-8-15)11-12-18(20)22-14-16-9-5-2-6-10-16/h1-10H,11-14H2
- InChI Key
- ODBOBZHTGBGYCK-UHFFFAOYSA-N
- Formula
- C18H18O4
- SMILES
-
O=C(CCC(=O)OCc1ccccc1)OCc1cccc
c1 - Molecular Weight1
- 298.33
- CAS
- 103-43-5
- Other Names
-
- Butanedioic acid, bis(phenylmethyl) ester
- Benzyl succinate
- Spasmine
- Succinic acid dibenzyl ester
- Succinate, dibenzyl
- 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).
- 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° | -142.34 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -431.39 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 36.03 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 78.53 | kJ/mol | Joback Calculated Property |
| log10WS | -4.28 | Crippen Calculated Property | |
| logPoct/wat | 3.253 | Crippen Calculated Property | |
| McVol | 231.840 | ml/mol | McGowan Calculated Property |
| Pc | 2081.22 | kPa | Joback Calculated Property |
| Tboil | 817.18 | K | Joback Calculated Property |
| Tc | 1045.05 | K | Joback Calculated Property |
| Tfus | 489.78 | K | Joback Calculated Property |
| Vc | 0.875 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [669.40; 735.82] | J/mol×K | [817.18; 1045.05] | 
|
| Cp,gas | 669.40 | J/mol×K | 817.18 | Joback Calculated Property |
| Cp,gas | 683.46 | J/mol×K | 855.16 | Joback Calculated Property |
| Cp,gas | 696.27 | J/mol×K | 893.14 | Joback Calculated Property |
| Cp,gas | 707.87 | J/mol×K | 931.12 | Joback Calculated Property |
| Cp,gas | 718.30 | J/mol×K | 969.10 | Joback Calculated Property |
| Cp,gas | 727.60 | J/mol×K | 1007.08 | Joback Calculated Property |
| Cp,gas | 735.82 | J/mol×K | 1045.05 | Joback Calculated Property |
| η | [0.0000726; 0.0007223] | Pa×s | [489.78; 817.18] |
|
| η | 0.0007223 | Pa×s | 489.78 | Joback Calculated Property |
| η | 0.0004065 | Pa×s | 544.35 | Joback Calculated Property |
| η | 0.0002540 | Pa×s | 598.91 | Joback Calculated Property |
| η | 0.0001717 | Pa×s | 653.48 | Joback Calculated Property |
| η | 0.0001233 | Pa×s | 708.05 | Joback Calculated Property |
| η | 0.0000928 | Pa×s | 762.61 | Joback Calculated Property |
| η | 0.0000726 | Pa×s | 817.18 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Dibenzyl succinate.
Sources
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