- InChI
- InChI=1S/C9H10O2/c1-6-4-3-5-8(7(6)2)9(10)11/h3-5H,1-2H3,(H,10,11)
- InChI Key
- RIZUCYSQUWMQLX-UHFFFAOYSA-N
- Formula
- C9H10O2
- SMILES
- Cc1cccc(C(=O)O)c1C
- Molecular Weight1
- 150.17
- CAS
- 603-79-2
- Other Names
-
- 2,3-Dimethylbenzoic acid
- Hemellitic acid
- ω : Acentric Factor.
- 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).
- ΔfusH : Enthalpy of fusion at a given temperature (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).
- 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).
- Pvap : Vapor 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 | 0.6781 | Relay (1.0) Calculated Property | |
| ΔcH°solid | -4520.39 ± 0.79 | kJ/mol | NIST |
| ΔfG° | -225.86 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | [-345.80; -345.80] | kJ/mol |
|
| ΔfH°gas | -345.80 ± 1.70 | kJ/mol | NIST |
| ΔfH°gas | -345.80 | kJ/mol | NIST |
| ΔfH°solid | [-450.41; -450.40] | kJ/mol |
|
| ΔfH°solid | -450.40 ± 1.70 | kJ/mol | NIST |
| ΔfH°solid | -450.41 ± 0.96 | kJ/mol | NIST |
| ΔfusH° | 22.47 | kJ/mol | Joback Calculated Property |
| ΔsubH° | [104.60; 104.60] | kJ/mol |
|
| ΔsubH° | 104.60 ± 0.40 | kJ/mol | NIST |
| ΔsubH° | 104.60 | kJ/mol | NIST |
| ΔsubH° | 104.60 ± 0.40 | kJ/mol | NIST |
| ΔvapH° | 85.57 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 8.79 | eV | Relay (1.0) Calculated Property |
| log10WS | -2.30 | Relay (1.0) Calculated Property | |
| logPoct/wat | 2.002 | Crippen Calculated Property | |
| McVol | 121.350 | ml/mol | McGowan Calculated Property |
| Pc | 3493.01 | kPa | Joback Calculated Property |
| Tboil | 542.57 | K | Relay (1.0) Calculated Property |
| Tc | 788.40 | K | Relay (1.0) Calculated Property |
| Tfus | 416.70 ± 2.00 | K | NIST |
| Vc | 0.434 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [282.07; 338.46] | J/mol×K | [587.67; 813.80] |
|
| Cp,gas | 282.07 | J/mol×K | 587.67 | Joback Calculated Property |
| Cp,gas | 293.13 | J/mol×K | 625.36 | Joback Calculated Property |
| Cp,gas | 303.48 | J/mol×K | 663.05 | Joback Calculated Property |
| Cp,gas | 313.16 | J/mol×K | 700.74 | Joback Calculated Property |
| Cp,gas | 322.19 | J/mol×K | 738.43 | Joback Calculated Property |
| Cp,gas | 330.62 | J/mol×K | 776.12 | Joback Calculated Property |
| Cp,gas | 338.46 | J/mol×K | 813.80 | Joback Calculated Property |
| Cp,solid | 216.30 | J/mol×K | 299.65 | NIST |
| η | [0.0002215; 0.0009403] | Pa×s | [403.25; 587.67] |
|
| η | 0.0009403 | Pa×s | 403.25 | Joback Calculated Property |
| η | 0.0006785 | Pa×s | 433.99 | Joback Calculated Property |
| η | 0.0005112 | Pa×s | 464.72 | Joback Calculated Property |
| η | 0.0003989 | Pa×s | 495.46 | Joback Calculated Property |
| η | 0.0003205 | Pa×s | 526.20 | Joback Calculated Property |
| η | 0.0002637 | Pa×s | 556.93 | Joback Calculated Property |
| η | 0.0002215 | Pa×s | 587.67 | Joback Calculated Property |
| ΔfusH | [18.30; 18.30] | kJ/mol | [417.60; 417.60] |
|
| ΔfusH | 18.30 | kJ/mol | 417.60 | NIST |
| ΔfusH | 18.30 | kJ/mol | 417.60 | NIST |
| ΔsubH | 102.30 ± 0.40 | kJ/mol | 326.50 | NIST |
Correlations
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Pvap | [1.33; 202.64] | kPa | [405.57; 579.05] |
The Yaws Handbook of Vapor Pressure
|
| Equation | ln(Pvp) = A + B/(T + C) | |||
| Coefficient A | 1.45341e+01 | |||
| Coefficient B | -4.53712e+03 | |||
| Coefficient C | -8.71000e+01 | |||
| Temperature range, min. | 405.57 | |||
| Temperature range, max. | 579.05 | |||
| Pvap | 1.33 | kPa | 405.57 | Calculated Property |
| Pvap | 3.01 | kPa | 424.85 | Calculated Property |
| Pvap | 6.21 | kPa | 444.12 | Calculated Property |
| Pvap | 11.90 | kPa | 463.40 | Calculated Property |
| Pvap | 21.42 | kPa | 482.67 | Calculated Property |
| Pvap | 36.50 | kPa | 501.95 | Calculated Property |
| Pvap | 59.32 | kPa | 521.22 | Calculated Property |
| Pvap | 92.50 | kPa | 540.50 | Calculated Property |
| Pvap | 139.12 | kPa | 559.77 | Calculated Property |
| Pvap | 202.64 | kPa | 579.05 | Calculated Property |
Similar Compounds
Find more compounds similar to Benzoic acid, 2,3-dimethyl-.
Sources
- Cheméo Relay (1.0)
- Crippen Method
- Crippen Method
- Joback Method
- McGowan Method
- NIST Webbook
- The Yaws Handbook of Vapor Pressure
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