- InChI
- InChI=1S/C10H10O3/c1-2-9(11)7-5-3-4-6-8(7)10(12)13/h3-6H,2H2,1H3,(H,12,13)
- InChI Key
- JYBOOAWVGOYQFU-UHFFFAOYSA-N
- Formula
- C10H10O3
- SMILES
- CCC(=O)c1ccccc1C(=O)O
- Molecular Weight1
- 178.18
- CAS
- 2360-45-4
- Other Names
-
- 2-(1-oxopropyl)benzoic acid
- 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 |
|---|---|---|---|
| ΔfG° | -258.56 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -402.06 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 22.59 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 70.96 | kJ/mol | Joback Calculated Property |
| log10WS | -2.61 | Crippen Calculated Property | |
| logPoct/wat | 1.978 | Crippen Calculated Property | |
| McVol | 137.010 | ml/mol | McGowan Calculated Property |
| Pc | 3699.95 | kPa | Joback Calculated Property |
| Tboil | 659.78 | K | Joback Calculated Property |
| Tc | 867.95 | K | Joback Calculated Property |
| Tfus | 402.08 | K | Joback Calculated Property |
| Vc | 0.518 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [338.64; 388.70] | J/mol×K | [659.78; 867.95] | 
|
| Cp,gas | 338.64 | J/mol×K | 659.78 | Joback Calculated Property |
| Cp,gas | 348.52 | J/mol×K | 694.47 | Joback Calculated Property |
| Cp,gas | 357.75 | J/mol×K | 729.17 | Joback Calculated Property |
| Cp,gas | 366.36 | J/mol×K | 763.86 | Joback Calculated Property |
| Cp,gas | 374.37 | J/mol×K | 798.56 | Joback Calculated Property |
| Cp,gas | 381.81 | J/mol×K | 833.25 | Joback Calculated Property |
| Cp,gas | 388.70 | J/mol×K | 867.95 | Joback Calculated Property |
| η | [0.0000783; 0.0022265] | Pa×s | [402.08; 659.78] |
|
| η | 0.0022265 | Pa×s | 402.08 | Joback Calculated Property |
| η | 0.0009736 | Pa×s | 445.03 | Joback Calculated Property |
| η | 0.0004925 | Pa×s | 487.98 | Joback Calculated Property |
| η | 0.0002782 | Pa×s | 530.93 | Joback Calculated Property |
| η | 0.0001711 | Pa×s | 573.88 | Joback Calculated Property |
| η | 0.0001126 | Pa×s | 616.83 | Joback Calculated Property |
| η | 0.0000783 | Pa×s | 659.78 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Benzoic acid, 2-(1-oxopropyl)-.
Sources
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