- InChI
- InChI=1S/C18H18O5/c19-17(15-7-3-1-4-8-15)22-13-11-21-12-14-23-18(20)16-9-5-2-6-10-16/h1-10H,11-14H2
- InChI Key
- NXQMCAOPTPLPRL-UHFFFAOYSA-N
- Formula
- C18H18O5
- SMILES
-
O=C(OCCOCCOC(=O)c1ccccc1)c1ccc
cc1 - Molecular Weight1
- 314.33
- CAS
- 120-55-8
- Other Names
-
- 2,2'-Oxydiethylene dibenzoate
- 2-[2-(Benzoyloxy)ethoxy]ethyl benzoate
- Benzo Flex 2-45
- Benzoic acid, diester with diethylene glycol
- Dibenzoyldiethyleneglycol ester
- Diglycol dibenzoate
- Ethanol, 2,2'-oxybis-, 1,1'-dibenzoate
- Ethanol, 2,2'-oxybis-, dibenzoate
- oxybis(ethane-2,1-diyl) dibenzoate
- oxydiethylene 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).
- Pvap : Vapor 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 | 0.8637 | Relay (1.0) Calculated Property | |
| ΔfG° | -400.24 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -633.48 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 40.38 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 112.36 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 9.01 | eV | Relay (1.0) Calculated Property |
| log10WS | -3.82 | Relay (1.0) Calculated Property | |
| logPoct/wat | 2.717 | Crippen Calculated Property | |
| McVol | 237.710 | ml/mol | McGowan Calculated Property |
| Pc | 1905.24 | kPa | Joback Calculated Property |
| Tboil | 662.46 | K | Relay (1.0) Calculated Property |
| Tc | 898.43 | K | Relay (1.0) Calculated Property |
| Tfus | 314.39 | K | Relay (1.0) Calculated Property |
| Vc | 0.870 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
Correlations
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [320.90; 745.63] | J/mol×K | [273.00; 1000.00] |
Joback Predicted correlation
|
| Equation | Y = A + B·T + C·T² + D·T³ + E·T⁴ Y is Cp,gas in J/mol×K, T in K | |||
| Coefficient A | -4.96600e+00 | |||
| Coefficient B | 1.38320e+00 | |||
| Coefficient C | -7.17600e-04 | |||
| Coefficient D | 8.50000e-08 | |||
| Coefficient E | 0.00000e+00 | |||
| Temperature range, min. | 273.00 | |||
| Temperature range, max. | 1000.00 | |||
| Cp,gas | 320.90 | J/mol×K | 273.00 | Calculated Property |
| Cp,gas | 398.33 | J/mol×K | 353.78 | Calculated Property |
| Cp,gas | 467.58 | J/mol×K | 434.56 | Calculated Property |
| Cp,gas | 528.90 | J/mol×K | 515.33 | Calculated Property |
| Cp,gas | 582.58 | J/mol×K | 596.11 | Calculated Property |
| Cp,gas | 628.88 | J/mol×K | 676.89 | Calculated Property |
| Cp,gas | 668.06 | J/mol×K | 757.67 | Calculated Property |
| Cp,gas | 700.41 | J/mol×K | 838.44 | Calculated Property |
| Cp,gas | 726.17 | J/mol×K | 919.22 | Calculated Property |
| Cp,gas | 745.63 | J/mol×K | 1000.00 | Calculated Property |
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| η | [0.0007559; 0.0000663] | Pa×s | [452.35; 718.28] |
Joback Predicted correlation
|
| Equation | Y = exp(A + B/T + C·ln(T) + D·T^E) Y is η in Pa×s, T in K | |||
| Coefficient A | -1.37615e+01 | |||
| Coefficient B | 2.97369e+03 | |||
| Coefficient C | 0.00000e+00 | |||
| Coefficient D | 0.00000e+00 | |||
| Coefficient E | 0.00000e+00 | |||
| Comment | Liquid phase. Joback/Reid (1987), valid from Tf to 0.7·Tc. | |||
| Temperature range, min. | 452.35 | |||
| Temperature range, max. | 718.28 | |||
| η | 0.0007559 | Pa×s | 452.35 | Calculated Property |
| η | 0.0005051 | Pa×s | 481.90 | Calculated Property |
| η | 0.0003536 | Pa×s | 511.45 | Calculated Property |
| η | 0.0002574 | Pa×s | 540.99 | Calculated Property |
| η | 0.0001936 | Pa×s | 570.54 | Calculated Property |
| η | 0.0001498 | Pa×s | 600.09 | Calculated Property |
| η | 0.0001187 | Pa×s | 629.64 | Calculated Property |
| η | 0.0000961 | Pa×s | 659.18 | Calculated Property |
| η | 0.0000792 | Pa×s | 688.73 | Calculated Property |
| η | 0.0000663 | Pa×s | 718.28 | Calculated Property |
Similar Compounds
Find more compounds similar to Diethylene glycol dibenzoate.
Mixtures
- Diethylene glycol dibenzoate + Ethanol, 2,2'-oxybis-
- Diethylene glycol dibenzoate + OCTYL BENZOATE
- Diethylene glycol dibenzoate + Ethanol, 2,2'-oxybis- + OCTYL BENZOATE
Sources
- Cheméo Relay (1.0)
- Crippen Method
- Crippen Method
- Experimental Isobaric Vapor Liquid Equilibrium for Binary Systems Diethylene Glycol Dibenzoate + Diethylene Glycol, Diethylene Glycol Dibenzoate + Octyl Benzoate, and Ternary System Diethylene Glycol Dibenzoate + Diethylene Glycol + Octyl Benzoate at 1.0152 kPa
- Joback Method
- McGowan Method
- NIST Webbook
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