- 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-Methylbenzaldehyde
- 2-Tolualdehyde
- NSC 103152
- o-Methylbenzaldehyde
- o-Tolualdehyde
- o-Toluic aldehyde
- o-Toluylaldehyde
- o-Tolylaldehyde
- 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).
- 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 |
|---|---|---|---|
| ΔfG° | 19.74 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -68.97 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 12.42 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 43.06 | kJ/mol | Joback Calculated Property |
| log10WS | -2.19 | Crippen 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 | 679.96 | K | Joback Calculated Property |
| Tfus | 260.86 | K | Joback Calculated Property |
| Vc | 0.393 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [194.28; 250.87] | J/mol×K | [462.76; 679.96] |
|
| Cp,gas | 194.28 | J/mol×K | 462.76 | Joback Calculated Property |
| Cp,gas | 205.24 | J/mol×K | 498.96 | Joback Calculated Property |
| Cp,gas | 215.55 | J/mol×K | 535.16 | Joback Calculated Property |
| Cp,gas | 225.25 | J/mol×K | 571.36 | Joback Calculated Property |
| Cp,gas | 234.35 | J/mol×K | 607.56 | Joback Calculated Property |
| Cp,gas | 242.88 | J/mol×K | 643.76 | Joback Calculated Property |
| Cp,gas | 250.87 | J/mol×K | 679.96 | Joback Calculated Property |
| η | [0.0002879; 0.0022848] | Pa×s | [260.86; 462.76] |
|
| η | 0.0022848 | Pa×s | 260.86 | Joback Calculated Property |
| η | 0.0013282 | Pa×s | 294.51 | Joback Calculated Property |
| η | 0.0008630 | Pa×s | 328.16 | Joback Calculated Property |
| η | 0.0006075 | Pa×s | 361.81 | Joback Calculated Property |
| η | 0.0004540 | Pa×s | 395.46 | Joback Calculated Property |
| η | 0.0003551 | Pa×s | 429.11 | Joback Calculated Property |
| η | 0.0002879 | Pa×s | 462.76 | Joback Calculated Property |
Correlations
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Pvap | [1.33; 202.65] | kPa | [356.32; 501.49] |
The Yaw...
|
| Equation | ln(Pvp) = A + B/(T + C) | |||
| 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
- Crippen Method
- Crippen Method
- Joback Method
- McGowan Method
- NIST Webbook
- The Yaws Handbook of Vapor Pressure
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that the value is more than 2 standard deviations away from the
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