- InChI
- InChI=1S/C22H12O4/c23-21(24)17-9-8-16-12-4-2-6-14-18(22(25)26)10-7-15(20(12)14)11-3-1-5-13(17)19(11)16/h1-10H,(H,23,24)(H,25,26)
- InChI Key
- SDPOODQJUWAHOW-UHFFFAOYSA-N
- Formula
- C22H12O4
- SMILES
-
O=C(O)c1ccc2c3cccc4c(C(=O)O)cc
c(c5cccc1c52)c43 - Molecular Weight1
- 340.33
- CAS
- 6364-19-8
- ΔcH°solid : Standard solid enthalpy of combustion (kJ/mol).
- 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).
- 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 |
|---|---|---|---|
| ΔcH°solid | -9741.60 | kJ/mol | NIST |
| ΔfG° | 87.98 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -129.03 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 47.26 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 122.93 | kJ/mol | Joback Calculated Property |
| log10WS | -8.23 | Crippen Calculated Property | |
| logPoct/wat | 5.134 | Crippen Calculated Property | |
| McVol | 238.420 | ml/mol | McGowan Calculated Property |
| Pc | 2859.68 | kPa | Joback Calculated Property |
| Tboil | 1114.66 | K | Joback Calculated Property |
| Tc | 1366.51 | K | Joback Calculated Property |
| Tfus | 785.30 | K | Joback Calculated Property |
| Vc | 0.927 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [736.46; 843.96] | J/mol×K | [1114.66; 1366.51] | 
|
| Cp,gas | 736.46 | J/mol×K | 1114.66 | Joback Calculated Property |
| Cp,gas | 750.90 | J/mol×K | 1156.64 | Joback Calculated Property |
| Cp,gas | 766.41 | J/mol×K | 1198.61 | Joback Calculated Property |
| Cp,gas | 783.24 | J/mol×K | 1240.59 | Joback Calculated Property |
| Cp,gas | 801.62 | J/mol×K | 1282.56 | Joback Calculated Property |
| Cp,gas | 821.78 | J/mol×K | 1324.54 | Joback Calculated Property |
| Cp,gas | 843.96 | J/mol×K | 1366.51 | Joback Calculated Property |
| η | [0.0000460; 0.0002568] | Pa×s | [785.30; 1114.66] |
|
| η | 0.0002568 | Pa×s | 785.30 | Joback Calculated Property |
| η | 0.0001756 | Pa×s | 840.19 | Joback Calculated Property |
| η | 0.0001258 | Pa×s | 895.09 | Joback Calculated Property |
| η | 0.0000936 | Pa×s | 949.98 | Joback Calculated Property |
| η | 0.0000720 | Pa×s | 1004.87 | Joback Calculated Property |
| η | 0.0000569 | Pa×s | 1059.77 | Joback Calculated Property |
| η | 0.0000460 | Pa×s | 1114.66 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to 3,9-perylenedicarboxylic acid.
Sources
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