- InChI
- InChI=1S/C18H16O4/c1-11(19)21-17-15-9-5-3-7-13(15)14-8-4-6-10-16(14)18(17)22-12(2)20/h3-10,17-18H,1-2H3/t17-,18+
- InChI Key
- AFGAFKSFAIFLNO-HDICACEKSA-N
- Formula
- C18H16O4
- SMILES
-
CC(=O)OC1c2ccccc2-c2ccccc2C1OC
(C)=O - Molecular Weight1
- 296.32
- 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 | 0.6338 | Relay (1.0) Calculated Property | |
| ΔfG° | -96.46 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -569.01 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 36.56 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 112.62 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 8.09 | eV | Relay (1.0) Calculated Property |
| log10WS | -3.68 | Relay (1.0) Calculated Property | |
| logPoct/wat | 3.576 | Crippen Calculated Property | |
| McVol | 220.980 | ml/mol | McGowan Calculated Property |
| Pc | 2163.33 | kPa | Joback Calculated Property |
| Inp | 2120.00 | NIST | |
| Tboil | 634.50 | K | Relay (1.0) Calculated Property |
| Tc | 917.44 | K | Relay (1.0) Calculated Property |
| Tfus | 387.50 | K | Relay (1.0) Calculated Property |
| Vc | 0.804 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [650.46; 718.58] | J/mol×K | [824.94; 1060.61] | 
|
| Cp,gas | 650.46 | J/mol×K | 824.94 | Joback Calculated Property |
| Cp,gas | 664.49 | J/mol×K | 864.22 | Joback Calculated Property |
| Cp,gas | 677.37 | J/mol×K | 903.50 | Joback Calculated Property |
| Cp,gas | 689.15 | J/mol×K | 942.77 | Joback Calculated Property |
| Cp,gas | 699.90 | J/mol×K | 982.05 | Joback Calculated Property |
| Cp,gas | 709.69 | J/mol×K | 1021.33 | Joback Calculated Property |
| Cp,gas | 718.58 | J/mol×K | 1060.61 | Joback Calculated Property |
| η | [0.0004137; 0.0013120] | Pa×s | [532.04; 824.94] |
|
| η | 0.0013120 | Pa×s | 532.04 | Joback Calculated Property |
| η | 0.0009984 | Pa×s | 580.86 | Joback Calculated Property |
| η | 0.0007926 | Pa×s | 629.67 | Joback Calculated Property |
| η | 0.0006505 | Pa×s | 678.49 | Joback Calculated Property |
| η | 0.0005482 | Pa×s | 727.31 | Joback Calculated Property |
| η | 0.0004720 | Pa×s | 776.12 | Joback Calculated Property |
| η | 0.0004137 | Pa×s | 824.94 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to cis-Phenanthrene, 9,10-dihydro-9,10-diol, diacetate.
Sources
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