- InChI
- InChI=1S/C10H12O2/c1-7(2)8-4-3-5-9(6-8)10(11)12/h3-7H,1-2H3,(H,11,12)
- InChI Key
- DLYVSJDCQZVKMD-UHFFFAOYSA-N
- Formula
- C10H12O2
- SMILES
- CC(C)c1cccc(C(=O)O)c1
- Molecular Weight1
- 164.20
- CAS
- 5651-47-8
- 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).
- 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 | -5170.10 ± 1.30 | kJ/mol | NIST |
| ΔfG° | -132.08 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -375.50 ± 1.90 | kJ/mol | NIST |
| ΔfH°solid | -479.60 ± 1.90 | kJ/mol | NIST |
| ΔfusH° | 17.47 | kJ/mol | Joback Calculated Property |
| ΔsubH° | [104.10; 104.10] | kJ/mol |
|
| ΔsubH° | 104.10 ± 0.30 | kJ/mol | NIST |
| ΔsubH° | 104.10 | kJ/mol | NIST |
| ΔsubH° | 104.10 ± 0.30 | kJ/mol | NIST |
| ΔvapH° | 63.83 | kJ/mol | Joback Calculated Property |
| log10WS | -2.72 | Crippen Calculated Property | |
| logPoct/wat | 2.508 | Crippen Calculated Property | |
| McVol | 135.440 | ml/mol | McGowan Calculated Property |
| Pc | 3464.28 | kPa | Joback Calculated Property |
| Tboil | 605.47 | K | Joback Calculated Property |
| Tc | 810.65 | K | Joback Calculated Property |
| Tfus | 324.70 ± 2.00 | K | NIST |
| Vc | 0.506 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [327.18; 385.64] | J/mol×K | [605.47; 810.65] |
|
| Cp,gas | 327.18 | J/mol×K | 605.47 | Joback Calculated Property |
| Cp,gas | 338.54 | J/mol×K | 639.67 | Joback Calculated Property |
| Cp,gas | 349.21 | J/mol×K | 673.86 | Joback Calculated Property |
| Cp,gas | 359.23 | J/mol×K | 708.06 | Joback Calculated Property |
| Cp,gas | 368.63 | J/mol×K | 742.25 | Joback Calculated Property |
| Cp,gas | 377.42 | J/mol×K | 776.45 | Joback Calculated Property |
| Cp,gas | 385.64 | J/mol×K | 810.65 | Joback Calculated Property |
| η | [0.0000831; 0.0058609] | Pa×s | [337.15; 605.47] |
|
| η | 0.0058609 | Pa×s | 337.15 | Joback Calculated Property |
| η | 0.0019034 | Pa×s | 381.87 | Joback Calculated Property |
| η | 0.0007826 | Pa×s | 426.59 | Joback Calculated Property |
| η | 0.0003809 | Pa×s | 471.31 | Joback Calculated Property |
| η | 0.0002100 | Pa×s | 516.03 | Joback Calculated Property |
| η | 0.0001273 | Pa×s | 560.75 | Joback Calculated Property |
| η | 0.0000831 | Pa×s | 605.47 | Joback Calculated Property |
| ΔsubH | 103.30 ± 0.30 | kJ/mol | 308.00 | NIST |
Similar Compounds
Find more compounds similar to Benzoic acid, 3-(1-methylethyl)-.
Sources
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