- InChI
- InChI=1S/C8H8O3/c1-11-7-5-3-2-4-6(7)8(9)10/h2-5H,1H3,(H,9,10)
- InChI Key
- ILUJQPXNXACGAN-UHFFFAOYSA-N
- Formula
- C8H8O3
- SMILES
- COc1ccccc1C(=O)O
- Molecular Weight1
- 152.15
- CAS
- 579-75-9
- Other Names
-
- 2-Anisic acid
- 2-Methoxybenzoic acid
- Kyselina 2-methoxybenzoova
- NSC 3778
- O-Methylsalicylic acid
- Salicylic acid methyl ether
- o-Anisic acid
- o-Methoxybenzoic acid
- 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).
- 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).
- 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).
- Psub : Sublimation pressure (kPa).
- Pvap : Vapor pressure (kPa).
- Inp : Non-polar retention indices.
- 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 | -3752.88 ± 0.64 | kJ/mol | NIST |
| ΔfG° | -251.48 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -433.80 ± 1.20 | kJ/mol | NIST |
| ΔfH°solid | -538.50 ± 1.20 | kJ/mol | NIST |
| ΔfusH° | 23.90 | kJ/mol | Benzoic... |
| ΔsubH° | [90.90; 110.70] | kJ/mol |
|
| ΔsubH° | 110.70 ± 0.80 | kJ/mol | NIST |
| ΔsubH° | 104.70 | kJ/mol | NIST |
| ΔsubH° | 104.70 ± 0.30 | kJ/mol | NIST |
| ΔsubH° | 90.90 ± 0.40 | kJ/mol | NIST |
| ΔvapH° | 91.80 | kJ/mol | NIST |
| log10WS | -1.56 | Aq. Sol... | |
| logPoct/wat | 1.393 | Crippen Calculated Property | |
| McVol | 113.130 | ml/mol | McGowan Calculated Property |
| Pc | 4260.71 | kPa | Joback Calculated Property |
| Inp | 1490.00 | NIST | |
| Tboil | 582.57 | K | Joback Calculated Property |
| Tc | 787.82 | K | Joback Calculated Property |
| Tfus | [370.00; 374.45] | K |
|
| Tfus | 373.65 | K | Aq. Sol... |
| Tfus | 374.45 | K | KDB |
| Tfus | 374.05 ± 0.50 | K | NIST |
| Tfus | 370.00 ± 6.00 | K | NIST |
| Tfus | 374.00 ± 3.00 | K | NIST |
| Vc | 0.418 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [257.47; 305.30] | J/mol×K | [582.57; 787.82] |
|
|
T(K) Ideal gas heat capacity (J/mol×K) 260 270 280 290 300 310 600 650 700 750 | ||||
| Cp,gas | 257.47 | J/mol×K | 582.57 | Joback Calculated Property |
| Cp,gas | 266.70 | J/mol×K | 616.78 | Joback Calculated Property |
| Cp,gas | 275.42 | J/mol×K | 650.99 | Joback Calculated Property |
| Cp,gas | 283.63 | J/mol×K | 685.20 | Joback Calculated Property |
| Cp,gas | 291.34 | J/mol×K | 719.41 | Joback Calculated Property |
| Cp,gas | 298.56 | J/mol×K | 753.62 | Joback Calculated Property |
| Cp,gas | 305.30 | J/mol×K | 787.82 | Joback Calculated Property |
| η | [0.0000920; 0.0031310] | Pa×s | [351.84; 582.57] |
|
|
T(K) Dynamic viscosity (Pa×s) 0 5.00e-4 1.00e-3 1.50e-3 2.00e-3 2.50e-3 3.00e-3 400 500 | ||||
| η | 0.0031310 | Pa×s | 351.84 | Joback Calculated Property |
| η | 0.0013019 | Pa×s | 390.30 | Joback Calculated Property |
| η | 0.0006336 | Pa×s | 428.75 | Joback Calculated Property |
| η | 0.0003472 | Pa×s | 467.20 | Joback Calculated Property |
| η | 0.0002085 | Pa×s | 505.66 | Joback Calculated Property |
| η | 0.0001345 | Pa×s | 544.12 | Joback Calculated Property |
| η | 0.0000920 | Pa×s | 582.57 | Joback Calculated Property |
| ΔfusH | 24.00 | kJ/mol | 374.60 | NIST |
| ΔsubH | [90.80; 104.70] | kJ/mol | [319.34; 360.50] |
|
| ΔsubH | 104.70 ± 0.30 | kJ/mol | 319.34 | NIST |
| ΔsubH | 101.20 | kJ/mol | 335.50 | NIST |
| ΔsubH | 90.80 ± 0.40 | kJ/mol | 360.50 | NIST |
| ΔsubH | 90.90 | kJ/mol | 360.50 | NIST |
| Psub | [9.80e-04; 0.02] | kPa | [342.40; 371.50] |
|
|
T(K) Sublimation pressure (kPa) 0 5.00e-3 0.01 0.02 350 360 370 | ||||
| Psub | 9.80e-04 | kPa | 342.40 | Thermod... |
| Psub | 1.52e-03 | kPa | 346.20 | Thermod... |
| Psub | 1.81e-03 | kPa | 348.20 | Thermod... |
| Psub | 2.21e-03 | kPa | 350.30 | Thermod... |
| Psub | 2.72e-03 | kPa | 352.20 | Thermod... |
| Psub | 3.47e-03 | kPa | 354.30 | Thermod... |
| Psub | 4.19e-03 | kPa | 356.20 | Thermod... |
| Psub | 5.36e-03 | kPa | 358.90 | Thermod... |
| Psub | 6.80e-03 | kPa | 361.40 | Thermod... |
| Psub | 8.13e-03 | kPa | 363.20 | Thermod... |
| Psub | 0.01 | kPa | 366.20 | Thermod... |
| Psub | 0.01 | kPa | 367.90 | Thermod... |
| Psub | 0.02 | kPa | 371.50 | Thermod... |
Correlations
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Pvap | [6.85e-05; 4.50e-04] | kPa | [319.15; 335.15] |
KDB Vap...
|
| Equation | ln(Pvp) = A + B/T + C*ln(T) + D*T^2 | |||
| Coefficient A | -1.20317e+02 | |||
| Coefficient B | -6.18426e+03 | |||
| Coefficient C | 2.28341e+01 | |||
| Coefficient D | -1.51976e-05 | |||
| Temperature range, min. | 319.15 | |||
| Temperature range, max. | 335.15 | |||
|
T(K) Vapor pressure (kPa) 1.00e-4 2.00e-4 3.00e-4 4.00e-4 320 325 330 335 | ||||
| Pvap | 6.85e-05 | kPa | 319.15 | Calculated Property |
| Pvap | 8.51e-05 | kPa | 320.93 | Calculated Property |
| Pvap | 1.05e-04 | kPa | 322.71 | Calculated Property |
| Pvap | 1.30e-04 | kPa | 324.48 | Calculated Property |
| Pvap | 1.61e-04 | kPa | 326.26 | Calculated Property |
| Pvap | 1.99e-04 | kPa | 328.04 | Calculated Property |
| Pvap | 2.44e-04 | kPa | 329.82 | Calculated Property |
| Pvap | 3.00e-04 | kPa | 331.59 | Calculated Property |
| Pvap | 3.68e-04 | kPa | 333.37 | Calculated Property |
| Pvap | 4.50e-04 | kPa | 335.15 | Calculated Property |
Similar Compounds
Find more compounds similar to Benzoic acid, 2-methoxy-.
Sources
- KDB Vapor Pressure Data
- Crippen Method
- Benzoic acid derivatives: Evaluation of thermochemical properties with complementary experimental and computational methods
- Thermodynamic properties of isomeric iso-butoxybenzoic acids: Experimental and theoretical study
- Joback Method
- KDB
- Aqueous Solubility Prediction Method
- McGowan Method
- NIST Webbook
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