- InChI
- InChI=1S/C16H16O2/c1-11(17)18-16-7-6-14-8-12-4-2-3-5-13(12)9-15(14)10-16/h2-5,8-9,16H,6-7,10H2,1H3
- InChI Key
- RNEGEEQZZDNBKA-UHFFFAOYSA-N
- Formula
- C16H16O2
- SMILES
- CC(=O)OC1CCc2cc3ccccc3cc2C1
- Molecular Weight1
- 240.30
- 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 | 0.5749 | Relay (1.0) Calculated Property | |
| ΔfG° | 98.37 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -249.06 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 26.30 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 101.08 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 7.76 | eV | Relay (1.0) Calculated Property |
| log10WS | -4.28 | Relay (1.0) Calculated Property | |
| logPoct/wat | 3.260 | Crippen Calculated Property | |
| McVol | 189.660 | ml/mol | McGowan Calculated Property |
| Pc | 2482.59 | kPa | Joback Calculated Property |
| Inp | 2035.00 | NIST | |
| Tboil | 637.70 | K | Relay (1.0) Calculated Property |
| Tc | 892.37 | K | Relay (1.0) Calculated Property |
| Tfus | 355.26 | K | Relay (1.0) Calculated Property |
| Vc | 0.696 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [523.15; 605.20] | J/mol×K | [708.40; 948.86] | 
|
| Cp,gas | 523.15 | J/mol×K | 708.40 | Joback Calculated Property |
| Cp,gas | 539.58 | J/mol×K | 748.48 | Joback Calculated Property |
| Cp,gas | 554.79 | J/mol×K | 788.55 | Joback Calculated Property |
| Cp,gas | 568.86 | J/mol×K | 828.63 | Joback Calculated Property |
| Cp,gas | 581.89 | J/mol×K | 868.71 | Joback Calculated Property |
| Cp,gas | 593.97 | J/mol×K | 908.78 | Joback Calculated Property |
| Cp,gas | 605.20 | J/mol×K | 948.86 | Joback Calculated Property |
| η | [0.0004343; 0.0015921] | Pa×s | [440.82; 708.40] |
|
| η | 0.0015921 | Pa×s | 440.82 | Joback Calculated Property |
| η | 0.0011607 | Pa×s | 485.42 | Joback Calculated Property |
| η | 0.0008925 | Pa×s | 530.01 | Joback Calculated Property |
| η | 0.0007148 | Pa×s | 574.61 | Joback Calculated Property |
| η | 0.0005911 | Pa×s | 619.21 | Joback Calculated Property |
| η | 0.0005014 | Pa×s | 663.80 | Joback Calculated Property |
| η | 0.0004343 | Pa×s | 708.40 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Anthracene, 1,2,3,4-tetrahydro-2-ol, acetate.
Sources
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