![3-[3-(Benzoyloxy)propoxy]propyl benzoate](/cid/59-743-2/3-3-Benzoyloxy-propoxy-propyl-benzoate.png "3-[3-(Benzoyloxy)propoxy]propyl benzoate")
- InChI
- InChI=1S/C20H22O5/c21-19(17-9-3-1-4-10-17)24-15-7-13-23-14-8-16-25-20(22)18-11-5-2-6-12-18/h1-6,9-12H,7-8,13-16H2
- InChI Key
- BYQDGAVOOHIJQS-UHFFFAOYSA-N
- Formula
- C20H22O5
- SMILES
-
O=C(OCCCOCCCOC(=O)c1ccccc1)c1c
cccc1 - Molecular Weight1
- 342.39
- CAS
- 94-51-9
- Other Names
-
- 3,3'-oxydipropyl dibenzoate
- 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).
- 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 | 0.9508 | Relay (1.0) Calculated Property | |
| ΔfG° | -230.50 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -683.84 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 42.40 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 113.69 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 8.88 | eV | Relay (1.0) Calculated Property |
| log10WS | -4.24 | Relay (1.0) Calculated Property | |
| logPoct/wat | 3.497 | Crippen Calculated Property | |
| McVol | 265.890 | ml/mol | McGowan Calculated Property |
| Pc | 1734.67 | kPa | Joback Calculated Property |
| Tboil | 675.04 | K | Relay (1.0) Calculated Property |
| Tc | 910.21 | K | Relay (1.0) Calculated Property |
| Tfus | 299.51 | K | Relay (1.0) Calculated Property |
| Vc | 0.978 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [809.91; 871.79] | J/mol×K | [885.36; 1107.59] | 
|
| Cp,gas | 809.91 | J/mol×K | 885.36 | Joback Calculated Property |
| Cp,gas | 823.50 | J/mol×K | 922.40 | Joback Calculated Property |
| Cp,gas | 835.74 | J/mol×K | 959.44 | Joback Calculated Property |
| Cp,gas | 846.66 | J/mol×K | 996.48 | Joback Calculated Property |
| Cp,gas | 856.29 | J/mol×K | 1033.51 | Joback Calculated Property |
| Cp,gas | 864.66 | J/mol×K | 1070.55 | Joback Calculated Property |
| Cp,gas | 871.79 | J/mol×K | 1107.59 | Joback Calculated Property |
| η | [0.0000414; 0.0004184] | Pa×s | [534.55; 885.36] |
|
| η | 0.0004184 | Pa×s | 534.55 | Joback Calculated Property |
| η | 0.0002354 | Pa×s | 593.02 | Joback Calculated Property |
| η | 0.0001468 | Pa×s | 651.49 | Joback Calculated Property |
| η | 0.0000990 | Pa×s | 709.96 | Joback Calculated Property |
| η | 0.0000709 | Pa×s | 768.42 | Joback Calculated Property |
| η | 0.0000532 | Pa×s | 826.89 | Joback Calculated Property |
| η | 0.0000414 | Pa×s | 885.36 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to 3-[3-(Benzoyloxy)propoxy]propyl benzoate.
Sources
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