- InChI
- InChI=1S/C14H14O2/c15-13(11-7-3-1-4-8-11)14(16)12-9-5-2-6-10-12/h1-10,13-16H/t13-,14-/m0/s1
- InChI Key
- IHPDTPWNFBQHEB-KBPBESRZSA-N
- Formula
- C14H14O2
- SMILES
- OC(c1ccccc1)C(O)c1ccccc1
- Molecular Weight1
- 214.26
- CAS
- 655-48-1
- 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 | 0.7469 | Relay (1.0) Calculated Property | |
| ΔfG° | 13.30 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -170.80 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 21.23 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 110.94 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 8.78 | eV | Relay (1.0) Calculated Property |
| log10WS | -2.12 | Relay (1.0) Calculated Property | |
| logPoct/wat | 2.454 | Crippen Calculated Property | |
| McVol | 172.340 | ml/mol | McGowan Calculated Property |
| Pc | 3460.21 | kPa | Joback Calculated Property |
| Tboil | 596.27 | K | Relay (1.0) Calculated Property |
| Tc | 888.67 | K | Relay (1.0) Calculated Property |
| Tfus | 426.75 | K | Relay (1.0) Calculated Property |
| Vc | 0.627 | m3/kmol | Relay (1.0) Calculated Property |
Correlations
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [212.33; 542.97] | 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 | -7.04300e+01 | |||
| Coefficient B | 1.25580e+00 | |||
| Coefficient C | -8.67400e-04 | |||
| Coefficient D | 2.25000e-07 | |||
| Coefficient E | 0.00000e+00 | |||
| Temperature range, min. | 273.00 | |||
| Temperature range, max. | 1000.00 | |||
| Cp,gas | 212.33 | J/mol×K | 273.00 | Calculated Property |
| Cp,gas | 275.24 | J/mol×K | 353.78 | Calculated Property |
| Cp,gas | 329.95 | J/mol×K | 434.56 | Calculated Property |
| Cp,gas | 377.16 | J/mol×K | 515.33 | Calculated Property |
| Cp,gas | 417.60 | J/mol×K | 596.11 | Calculated Property |
| Cp,gas | 451.96 | J/mol×K | 676.89 | Calculated Property |
| Cp,gas | 480.97 | J/mol×K | 757.67 | Calculated Property |
| Cp,gas | 505.33 | J/mol×K | 838.44 | Calculated Property |
| Cp,gas | 525.76 | J/mol×K | 919.22 | Calculated Property |
| Cp,gas | 542.97 | J/mol×K | 1000.00 | Calculated Property |
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| η | [0.0041702; 0.0000152] | Pa×s | [392.02; 678.83] |
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 | -1.87708e+01 | |||
| Coefficient B | 5.21034e+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. | 392.02 | |||
| Temperature range, max. | 678.83 | |||
| η | 0.0041702 | Pa×s | 392.02 | Calculated Property |
| η | 0.0015354 | Pa×s | 423.89 | Calculated Property |
| η | 0.0006500 | Pa×s | 455.75 | Calculated Property |
| η | 0.0003079 | Pa×s | 487.62 | Calculated Property |
| η | 0.0001599 | Pa×s | 519.49 | Calculated Property |
| η | 0.0000895 | Pa×s | 551.36 | Calculated Property |
| η | 0.0000534 | Pa×s | 583.22 | Calculated Property |
| η | 0.0000336 | Pa×s | 615.09 | Calculated Property |
| η | 0.0000222 | Pa×s | 646.96 | Calculated Property |
| η | 0.0000152 | Pa×s | 678.83 | Calculated Property |
Similar Compounds
Find more compounds similar to 1,2-Ethanediol, 1,2-diphenyl-, (R*,R*)-(.+/-.)-.
Sources
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