- InChI
- InChI=1S/C14H12O2/c1-8-11-4-2-9(15)6-13(11)14-7-10(16)3-5-12(8)14/h2-8,15-16H,1H3
- InChI Key
- XQONGHCSNZQHBO-UHFFFAOYSA-N
- Formula
- C14H12O2
- SMILES
- CC1c2ccc(O)cc2-c2cc(O)ccc21
- Molecular Weight1
- 212.24
- 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 | 0.7223 | Relay (1.0) Calculated Property | |
| ΔfG° | 48.27 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -166.95 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 33.22 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 122.32 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 7.71 | eV | Relay (1.0) Calculated Property |
| log10WS | -3.68 | Relay (1.0) Calculated Property | |
| logPoct/wat | 3.230 | Crippen Calculated Property | |
| McVol | 161.480 | ml/mol | McGowan Calculated Property |
| Pc | 4151.61 | kPa | Joback Calculated Property |
| Inp | [2180.00; 2180.00] |
|
|
| Inp | 2180.00 | NIST | |
| Inp | 2180.00 | NIST | |
| Tboil | 636.31 | K | Relay (1.0) Calculated Property |
| Tc | 951.90 | K | Relay (1.0) Calculated Property |
| Tfus | 479.69 | K | Relay (1.0) Calculated Property |
| Vc | 0.575 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [449.56; 519.62] | J/mol×K | [742.48; 1000.42] |
|
| Cp,gas | 449.56 | J/mol×K | 742.48 | Joback Calculated Property |
| Cp,gas | 461.43 | J/mol×K | 785.47 | Joback Calculated Property |
| Cp,gas | 472.85 | J/mol×K | 828.46 | Joback Calculated Property |
| Cp,gas | 484.10 | J/mol×K | 871.45 | Joback Calculated Property |
| Cp,gas | 495.46 | J/mol×K | 914.44 | Joback Calculated Property |
| Cp,gas | 507.20 | J/mol×K | 957.43 | Joback Calculated Property |
| Cp,gas | 519.62 | J/mol×K | 1000.42 | Joback Calculated Property |
| η | [0.0000059; 0.0000561] | Pa×s | [573.84; 742.48] |
|
| η | 0.0000561 | Pa×s | 573.84 | Joback Calculated Property |
| η | 0.0000353 | Pa×s | 601.95 | Joback Calculated Property |
| η | 0.0000232 | Pa×s | 630.05 | Joback Calculated Property |
| η | 0.0000158 | Pa×s | 658.16 | Joback Calculated Property |
| η | 0.0000111 | Pa×s | 686.27 | Joback Calculated Property |
| η | 0.0000080 | Pa×s | 714.37 | Joback Calculated Property |
| η | 0.0000059 | Pa×s | 742.48 | Joback Calculated Property |
Similar Compounds
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Sources
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