- InChI
- InChI=1S/C9H10O2/c1-2-7-4-3-5-8(6-7)9(10)11/h3-6H,2H2,1H3,(H,10,11)
- InChI Key
- HXUSUAKIRZZMGP-UHFFFAOYSA-N
- Formula
- C9H10O2
- SMILES
- CCc1cccc(C(=O)O)c1
- Molecular Weight1
- 150.17
- CAS
- 619-20-5
- ΔcH°solid : Standard solid enthalpy of combustion (kJ/mol).
- Cp,gas : Ideal gas heat capacity (J/mol×K).
- Cp,solid : Solid phase 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).
- ΔfH°solid : Solid phase enthalpy of formation at standard conditions (kJ/mol).
- ΔfusH° : Enthalpy of fusion at standard conditions (kJ/mol).
- ΔsubH° : Enthalpy of sublimation at standard conditions (kJ/mol).
- ΔsubH : Enthalpy of sublimation at a given temperature (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 | -4524.90 ± 3.10 | kJ/mol | NIST |
| ΔfG° | -138.06 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -346.80 ± 1.50 | kJ/mol | NIST |
| ΔfH°solid | -445.90 ± 1.40 | kJ/mol | NIST |
| ΔfusH° | 18.41 | kJ/mol | Joback Calculated Property |
| ΔsubH° | [99.10; 99.70] | kJ/mol |
|
| ΔsubH° | 99.70 ± 0.40 | kJ/mol | NIST |
| ΔsubH° | 99.10 ± 0.40 | kJ/mol | NIST |
| ΔsubH° | 99.10 | kJ/mol | NIST |
| ΔsubH° | 99.10 ± 2.50 | kJ/mol | NIST |
| ΔsubH° | 99.70 ± 0.40 | kJ/mol | NIST |
| ΔvapH° | 61.99 | kJ/mol | Joback Calculated Property |
| log10WS | -2.33 | Crippen Calculated Property | |
| logPoct/wat | 1.947 | Crippen Calculated Property | |
| McVol | 121.350 | ml/mol | McGowan Calculated Property |
| Pc | 3853.09 | kPa | Joback Calculated Property |
| Tboil | 583.03 | K | Joback Calculated Property |
| Tc | 787.21 | K | Joback Calculated Property |
| Tfus | 318.00 ± 4.00 | K | NIST |
| Vc | 0.457 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [280.42; 333.35] | J/mol×K | [583.03; 787.21] |
|
| Cp,gas | 280.42 | J/mol×K | 583.03 | Joback Calculated Property |
| Cp,gas | 290.68 | J/mol×K | 617.06 | Joback Calculated Property |
| Cp,gas | 300.33 | J/mol×K | 651.09 | Joback Calculated Property |
| Cp,gas | 309.40 | J/mol×K | 685.12 | Joback Calculated Property |
| Cp,gas | 317.91 | J/mol×K | 719.15 | Joback Calculated Property |
| Cp,gas | 325.89 | J/mol×K | 753.18 | Joback Calculated Property |
| Cp,gas | 333.35 | J/mol×K | 787.21 | Joback Calculated Property |
| Cp,solid | 199.70 | J/mol×K | 298.15 | NIST |
| η | [0.0001039; 0.0045711] | Pa×s | [340.88; 583.03] |
|
| η | 0.0045711 | Pa×s | 340.88 | Joback Calculated Property |
| η | 0.0017423 | Pa×s | 381.24 | Joback Calculated Property |
| η | 0.0007988 | Pa×s | 421.60 | Joback Calculated Property |
| η | 0.0004197 | Pa×s | 461.95 | Joback Calculated Property |
| η | 0.0002445 | Pa×s | 502.31 | Joback Calculated Property |
| η | 0.0001544 | Pa×s | 542.67 | Joback Calculated Property |
| η | 0.0001039 | Pa×s | 583.03 | Joback Calculated Property |
| ΔsubH | 99.10 | kJ/mol | 309.00 | NIST |
Similar Compounds
Find more compounds similar to 3-Ethylbenzoic acid.
Sources
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