- InChI
- InChI=1S/C8H8O/c1-7-2-4-8(6-9)5-3-7/h2-6H,1H3
- InChI Key
- FXLOVSHXALFLKQ-UHFFFAOYSA-N
- Formula
- C8H8O
- SMILES
- Cc1ccc(C=O)cc1
- Molecular Weight1
- 120.15
- CAS
- 1334-78-7
- Other Names
-
- Tolyl aldehyde
- 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).
- 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 | [1068.00; 1068.00] |
|
|
| Inp | 1068.00 | NIST | |
| Inp | 1068.00 | NIST | |
| I | [1623.00; 1623.00] |
|
|
| I | 1623.00 | NIST | |
| I | 1623.00 | NIST | |
| Tboil | 462.76 | K | Joback Calculated Property |
| 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 |
Similar Compounds
Find more compounds similar to Tolualdehyde.
Sources
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