- InChI
- InChI=1S/C8H8O/c1-7-4-2-3-5-8(7)6-9/h2-6H,1H3
- InChI Key
- BTFQKIATRPGRBS-UHFFFAOYSA-N
- Formula
- C8H8O
- SMILES
- Cc1ccccc1C=O
- Molecular Weight1
- 120.15
- CAS
- 529-20-4
- Other Names
-
- 2-Formyltoluene
- 2-Tolualdehyde
- 2-methylbenzaldehyde
- NSC 103152
- o-Toluic aldehyde
- o-Tolylaldehyde
- o-methylbenzaldehyde
- o-tolualdehyde
- o-toluylaldehyde
- ω : Acentric Factor.
- 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).
- 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).
- Inp : Non-polar retention indices.
- I : 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 |
|---|---|---|---|
| ω | 0.3973 | Relay (1.0) Calculated Property | |
| ΔfG° | 19.74 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -76.94 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 12.42 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 55.55 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 9.13 | eV | Relay (1.0) Calculated Property |
| log10WS | -1.69 | Relay (1.0) Calculated Property | |
| logPoct/wat | 1.808 | Crippen Calculated Property | |
| McVol | 101.390 | ml/mol | McGowan Calculated Property |
| Pc | 3925.85 | kPa | Joback Calculated Property |
| Inp | [1034.00; 1085.00] |
|
|
| Inp | 1065.60 | NIST | |
| Inp | 1070.90 | NIST | |
| Inp | 1067.00 | NIST | |
| Inp | 1064.00 | NIST | |
| Inp | 1040.00 | NIST | |
| Inp | Outlier 1085.00 | NIST | |
| Inp | 1034.00 | NIST | |
| Inp | 1044.00 | NIST | |
| Inp | 1046.00 | NIST | |
| Inp | 1038.00 | NIST | |
| Inp | 1058.00 | NIST | |
| Inp | 1068.00 | NIST | |
| Inp | 1056.00 | NIST | |
| Inp | 1054.00 | NIST | |
| Inp | 1054.00 | NIST | |
| Inp | 1054.00 | NIST | |
| I | [1600.00; 1669.00] |
|
|
| I | 1644.00 | NIST | |
| I | 1644.00 | NIST | |
| I | 1600.00 | NIST | |
| I | 1621.00 | NIST | |
| I | 1621.00 | NIST | |
| I | 1622.00 | NIST | |
| I | 1622.00 | NIST | |
| I | 1669.00 | NIST | |
| I | 1632.00 | NIST | |
| I | 1632.00 | NIST | |
| I | 1600.00 | NIST | |
| I | 1644.00 | NIST | |
| I | 1669.00 | NIST | |
| Tboil | [467.15; 473.20] | K |
|
| Tboil | 473.20 | K | NIST |
| Tboil | 467.15 ± 3.00 | K | NIST |
| Tc | 725.27 | K | Relay (1.0) Calculated Property |
| Tfus | 233.40 | K | Melting Point, Enthalpy of Fusion, and Heat Capacity Measurements of Several Polyfunctional, Industrially Important Compounds by Differential Scanning Calorimetry |
| Vc | 0.366 | m3/kmol | Relay (1.0) Calculated Property |
Correlations
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [125.40; 301.27] | J/mol×K | [273.00; 1000.00] |
Joback Predicted correlation
|
| Equation | Y = A + B·T + C·T² + D·T³ + E·T⁴ Y is Cp,gas in J/mol×K, T in K | |||
| Coefficient A | -1.25900e+01 | |||
| Coefficient B | 5.99920e-01 | |||
| Coefficient C | -3.68560e-04 | |||
| Coefficient D | 8.25000e-08 | |||
| Coefficient E | 0.00000e+00 | |||
| Temperature range, min. | 273.00 | |||
| Temperature range, max. | 1000.00 | |||
| Cp,gas | 125.40 | J/mol×K | 273.00 | Calculated Property |
| Cp,gas | 157.17 | J/mol×K | 353.78 | Calculated Property |
| Cp,gas | 185.28 | J/mol×K | 434.56 | Calculated Property |
| Cp,gas | 209.98 | J/mol×K | 515.33 | Calculated Property |
| Cp,gas | 231.54 | J/mol×K | 596.11 | Calculated Property |
| Cp,gas | 250.21 | J/mol×K | 676.89 | Calculated Property |
| Cp,gas | 266.26 | J/mol×K | 757.67 | Calculated Property |
| Cp,gas | 279.94 | J/mol×K | 838.44 | Calculated Property |
| Cp,gas | 291.53 | J/mol×K | 919.22 | Calculated Property |
| Cp,gas | 301.27 | J/mol×K | 1000.00 | Calculated Property |
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| η | [0.0039944; 0.0002670] | Pa×s | [233.40; 476.18] |
Joback Predicted correlation
|
| Equation | Y = exp(A + B/T + C·ln(T) + D·T^E) Y is η in Pa×s, T in K | |||
| Coefficient A | -1.08293e+01 | |||
| Coefficient B | 1.23851e+03 | |||
| Coefficient C | 0.00000e+00 | |||
| Coefficient D | 0.00000e+00 | |||
| Coefficient E | 0.00000e+00 | |||
| Temperature range, min. | 233.40 | |||
| Temperature range, max. | 476.18 | |||
| η | 0.0039944 | Pa×s | 233.40 | Calculated Property |
| η | 0.0023051 | Pa×s | 260.38 | Calculated Property |
| η | 0.0014749 | Pa×s | 287.35 | Calculated Property |
| η | 0.0010189 | Pa×s | 314.33 | Calculated Property |
| η | 0.0007462 | Pa×s | 341.30 | Calculated Property |
| η | 0.0005721 | Pa×s | 368.28 | Calculated Property |
| η | 0.0004547 | Pa×s | 395.25 | Calculated Property |
| η | 0.0003722 | Pa×s | 422.23 | Calculated Property |
| η | 0.0003121 | Pa×s | 449.20 | Calculated Property |
| η | 0.0002670 | Pa×s | 476.18 | Calculated Property |
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Pvap | [1.33; 202.65] | kPa | [356.32; 501.49] |
The Yaws Handbook of Vapor Pressure
|
| Equation | ln(Y) = A + B/(T + C) Y is Pvap in kPa, T in K | |||
| Coefficient A | 1.51175e+01 | |||
| Coefficient B | -4.20214e+03 | |||
| Coefficient C | -7.29640e+01 | |||
| Temperature range, min. | 356.32 | |||
| Temperature range, max. | 501.49 | |||
| Pvap | 1.33 | kPa | 356.32 | Calculated Property |
| Pvap | 2.96 | kPa | 372.45 | Calculated Property |
| Pvap | 6.07 | kPa | 388.58 | Calculated Property |
| Pvap | 11.60 | kPa | 404.71 | Calculated Property |
| Pvap | 20.86 | kPa | 420.84 | Calculated Property |
| Pvap | 35.64 | kPa | 436.97 | Calculated Property |
| Pvap | 58.16 | kPa | 453.10 | Calculated Property |
| Pvap | 91.21 | kPa | 469.23 | Calculated Property |
| Pvap | 138.09 | kPa | 485.36 | Calculated Property |
| Pvap | 202.65 | kPa | 501.49 | Calculated Property |
Similar Compounds
Find more compounds similar to Benzaldehyde, 2-methyl-.
Sources
- Cheméo Relay (1.0)
- Crippen Method
- Crippen Method
- Melting Point, Enthalpy of Fusion, and Heat Capacity Measurements of Several Polyfunctional, Industrially Important Compounds by Differential Scanning Calorimetry
- Henry s Law Constants of Some Aromatic Aldehydes and Ketones Measured by an Internal Standard Method
- Joback Method
- McGowan Method
- NIST Webbook
- The Yaws Handbook of Vapor Pressure
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