- InChI
- InChI=1S/C17H16O4/c18-16(14-8-3-1-4-9-14)20-12-7-13-21-17(19)15-10-5-2-6-11-15/h1-6,8-11H,7,12-13H2
- InChI Key
- SSEOOCRUUJYCKA-UHFFFAOYSA-N
- Formula
- C17H16O4
- SMILES
-
O=C(OCCCOC(=O)c1ccccc1)c1ccccc
1 - Molecular Weight1
- 284.31
- CAS
- 2451-86-7
- Other Names
-
- Trimethyleneglycol, dibenzoate
- Benzoflex S-432
- TMETB
- 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 | 0.7848 | Relay (1.0) Calculated Property | |
| ΔfG° | -303.66 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -506.89 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 36.61 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 102.60 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 9.07 | eV | Relay (1.0) Calculated Property |
| log10WS | -4.40 | Relay (1.0) Calculated Property | |
| logPoct/wat | 3.091 | Crippen Calculated Property | |
| McVol | 217.750 | ml/mol | McGowan Calculated Property |
| Pc | 2108.07 | kPa | Joback Calculated Property |
| Inp | 2248.00 | NIST | |
| Tboil | 638.25 | K | Relay (1.0) Calculated Property |
| Tc | 882.11 | K | Relay (1.0) Calculated Property |
| Tfus | 327.42 | K | Relay (1.0) Calculated Property |
| Vc | 0.808 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [605.82; 672.92] | J/mol×K | [758.36; 986.36] | 
|
| Cp,gas | 605.82 | J/mol×K | 758.36 | Joback Calculated Property |
| Cp,gas | 620.25 | J/mol×K | 796.36 | Joback Calculated Property |
| Cp,gas | 633.32 | J/mol×K | 834.36 | Joback Calculated Property |
| Cp,gas | 645.08 | J/mol×K | 872.36 | Joback Calculated Property |
| Cp,gas | 655.58 | J/mol×K | 910.36 | Joback Calculated Property |
| Cp,gas | 664.84 | J/mol×K | 948.36 | Joback Calculated Property |
| Cp,gas | 672.92 | J/mol×K | 986.36 | Joback Calculated Property |
| η | [0.0000650; 0.0012388] | Pa×s | [418.85; 758.36] |
|
| η | 0.0012388 | Pa×s | 418.85 | Joback Calculated Property |
| η | 0.0005659 | Pa×s | 475.44 | Joback Calculated Property |
| η | 0.0003054 | Pa×s | 532.02 | Joback Calculated Property |
| η | 0.0001855 | Pa×s | 588.61 | Joback Calculated Property |
| η | 0.0001230 | Pa×s | 645.19 | Joback Calculated Property |
| η | 0.0000872 | Pa×s | 701.77 | Joback Calculated Property |
| η | 0.0000650 | Pa×s | 758.36 | Joback Calculated Property |
Similar Compounds
![3-[3-(Benzoyloxy)propoxy]propyl benzoate.](data:image/png;base64,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)
Find more compounds similar to 1,3-Propanediol dibenzoate.
Sources
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