- InChI
- InChI=1S/C16H14O4/c17-15(13-7-3-1-4-8-13)19-11-12-20-16(18)14-9-5-2-6-10-14/h1-10H,11-12H2
- InChI Key
- XFDQLDNQZFOAFK-UHFFFAOYSA-N
- Formula
- C16H14O4
- SMILES
- O=C(OCCOC(=O)c1ccccc1)c1ccccc1
- Molecular Weight1
- 270.28
- Other Names
-
- 2-(Benzoyloxy)ethyl benzoate
- Benzoflex 998
- Benzoflex e-60
- Dibenzoyl ethylene glycol
- Ethylene dibenzoate
- Ethylene glycol, dibenzoate
- Glycol dibenzoate
- Polyethylene-glycol (200) 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).
- 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 | 0.7415 | Relay (1.0) Calculated Property | |
| ΔfG° | -312.08 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -481.43 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 34.02 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 104.52 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 9.03 | eV | Relay (1.0) Calculated Property |
| log10WS | -4.16 | Relay (1.0) Calculated Property | |
| logPoct/wat | 2.700 | Crippen Calculated Property | |
| McVol | 203.660 | ml/mol | McGowan Calculated Property |
| Pc | 2306.95 | kPa | Joback Calculated Property |
| Inp | [2108.00; 2108.00] |
|
|
| Inp | 2108.00 | NIST | |
| Inp | 2108.00 | NIST | |
| Tboil | 630.51 | K | Relay (1.0) Calculated Property |
| Tc | 874.62 | K | Relay (1.0) Calculated Property |
| Tfus | 333.22 | K | Relay (1.0) Calculated Property |
| Vc | 0.759 | m3/kmol | Relay (1.0) Calculated Property |
Correlations
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [263.06; 623.95] | 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 | -2.86480e+01 | |||
| Coefficient B | 1.25640e+00 | |||
| Coefficient C | -7.19800e-04 | |||
| Coefficient D | 1.16000e-07 | |||
| Coefficient E | 0.00000e+00 | |||
| Temperature range, min. | 273.00 | |||
| Temperature range, max. | 1000.00 | |||
| Cp,gas | 263.06 | J/mol×K | 273.00 | Calculated Property |
| Cp,gas | 330.89 | J/mol×K | 353.78 | Calculated Property |
| Cp,gas | 390.92 | J/mol×K | 434.56 | Calculated Property |
| Cp,gas | 443.54 | J/mol×K | 515.33 | Calculated Property |
| Cp,gas | 489.10 | J/mol×K | 596.11 | Calculated Property |
| Cp,gas | 527.97 | J/mol×K | 676.89 | Calculated Property |
| Cp,gas | 560.53 | J/mol×K | 757.67 | Calculated Property |
| Cp,gas | 587.13 | J/mol×K | 838.44 | Calculated Property |
| Cp,gas | 608.15 | J/mol×K | 919.22 | Calculated Property |
| Cp,gas | 623.95 | J/mol×K | 1000.00 | Calculated Property |
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| η | [0.0013683; 0.0001015] | Pa×s | [407.58; 677.23] |
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 | -1.31285e+01 | |||
| Coefficient B | 2.66328e+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. | 407.58 | |||
| Temperature range, max. | 677.23 | |||
| η | 0.0013683 | Pa×s | 407.58 | Calculated Property |
| η | 0.0008747 | Pa×s | 437.54 | Calculated Property |
| η | 0.0005922 | Pa×s | 467.50 | Calculated Property |
| η | 0.0004202 | Pa×s | 497.46 | Calculated Property |
| η | 0.0003100 | Pa×s | 527.42 | Calculated Property |
| η | 0.0002363 | Pa×s | 557.38 | Calculated Property |
| η | 0.0001852 | Pa×s | 587.35 | Calculated Property |
| η | 0.0001486 | Pa×s | 617.31 | Calculated Property |
| η | 0.0001217 | Pa×s | 647.27 | Calculated Property |
| η | 0.0001015 | Pa×s | 677.23 | Calculated Property |
Similar Compounds
Find more compounds similar to 1,2-Ethanediol, dibenzoate.
Sources
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