- InChI
- InChI=1S/C8H6O3/c9-5-6-2-1-3-7(4-6)8(10)11/h1-5H,(H,10,11)
- InChI Key
- UHDNUPHSDMOGCR-UHFFFAOYSA-N
- Formula
- C8H6O3
- SMILES
- O=Cc1cccc(C(=O)O)c1
- Molecular Weight1
- 150.13
- CAS
- 619-21-6
- Other Names
-
- 3-Carboxybenzaldehyde
- 3-formylbenzoic acid
- 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 | 0.7092 | Relay (1.0) Calculated Property | |
| ΔfG° | -324.17 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -404.85 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 22.56 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 90.05 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 9.75 | eV | Relay (1.0) Calculated Property |
| log10WS | -1.56 | Relay (1.0) Calculated Property | |
| logPoct/wat | 1.197 | Crippen Calculated Property | |
| McVol | 108.830 | ml/mol | McGowan Calculated Property |
| Pc | 4403.25 | kPa | Joback Calculated Property |
| Tboil | 561.24 | K | Relay (1.0) Calculated Property |
| Tc | 851.54 | K | Relay (1.0) Calculated Property |
| Tfus | 418.22 | K | Relay (1.0) Calculated Property |
| Vc | 0.393 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [249.50; 292.82] | J/mol×K | [608.47; 840.05] | 
|
| Cp,gas | 249.50 | J/mol×K | 608.47 | Joback Calculated Property |
| Cp,gas | 258.28 | J/mol×K | 647.07 | Joback Calculated Property |
| Cp,gas | 266.39 | J/mol×K | 685.66 | Joback Calculated Property |
| Cp,gas | 273.85 | J/mol×K | 724.26 | Joback Calculated Property |
| Cp,gas | 280.72 | J/mol×K | 762.85 | Joback Calculated Property |
| Cp,gas | 287.03 | J/mol×K | 801.45 | Joback Calculated Property |
| Cp,gas | 292.82 | J/mol×K | 840.05 | Joback Calculated Property |
| η | [0.0002841; 0.0012280] | Pa×s | [421.46; 608.47] |
|
| η | 0.0012280 | Pa×s | 421.46 | Joback Calculated Property |
| η | 0.0008846 | Pa×s | 452.63 | Joback Calculated Property |
| η | 0.0006647 | Pa×s | 483.80 | Joback Calculated Property |
| η | 0.0005171 | Pa×s | 514.97 | Joback Calculated Property |
| η | 0.0004140 | Pa×s | 546.13 | Joback Calculated Property |
| η | 0.0003395 | Pa×s | 577.30 | Joback Calculated Property |
| η | 0.0002841 | Pa×s | 608.47 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Benzoic acid, 3-formyl-.
Sources
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