- InChI
- InChI=1S/C12H18/c1-5-6-12-8-7-9(2)10(3)11(12)4/h7-8H,5-6H2,1-4H3
- InChI Key
- SZAIENRDRCMPRX-UHFFFAOYSA-N
- Formula
- C12H18
- SMILES
- CCCc1ccc(C)c(C)c1C
- Molecular Weight1
- 162.28
- Other Names
-
- 1,2,3-Trimethyl-4-n-Propylbenzene
- ω : Acentric Factor.
- Cp,gas : Ideal gas heat capacity (J/mol×K).
- η : Dynamic viscosity (Pa×s).
- 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).
- 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 |
|---|---|---|---|
| ω | 0.4514 | Relay (1.0) Calculated Property | |
| ΔfH°gas | -73.91 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 19.71 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 62.83 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 8.01 | eV | Relay (1.0) Calculated Property |
| logPoct/wat | 3.564 | Crippen Calculated Property | |
| McVol | 156.180 | ml/mol | McGowan Calculated Property |
| Pc | 2302.53 | kPa | Joback Calculated Property |
| Inp | 1297.00 | NIST | |
| I | [1567.60; 1568.00] |
|
|
| I | 1567.60 | NIST | |
| I | 1568.00 | NIST | |
| I | 1568.00 | NIST | |
| I | 1567.60 | NIST | |
| Tboil | 505.81 | K | Relay (1.0) Calculated Property |
| Tc | 709.76 | K | Relay (1.0) Calculated Property |
| Tfus | 252.58 | K | Relay (1.0) Calculated Property |
| Vc | 0.588 | m3/kmol | Relay (1.0) Calculated Property |
Cheméo can also estimate Standard Gibbs free energy of formation, Log10 of Water solubility in mol/l for this compound, but they fall outside the models' validated range, so they are not shown here. Open the prediction tool to compute them on demand.
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [347.28; 431.41] | J/mol×K | [515.58; 718.31] |
|
| Cp,gas | 347.28 | J/mol×K | 515.58 | Joback Calculated Property |
| Cp,gas | 363.09 | J/mol×K | 549.37 | Joback Calculated Property |
| Cp,gas | 378.15 | J/mol×K | 583.16 | Joback Calculated Property |
| Cp,gas | 392.49 | J/mol×K | 616.94 | Joback Calculated Property |
| Cp,gas | 406.14 | J/mol×K | 650.73 | Joback Calculated Property |
| Cp,gas | 419.10 | J/mol×K | 684.52 | Joback Calculated Property |
| Cp,gas | 431.41 | J/mol×K | 718.31 | Joback Calculated Property |
| η | [0.0001874; 0.0013949] | Pa×s | [288.98; 515.58] |
|
| η | 0.0013949 | Pa×s | 288.98 | Joback Calculated Property |
| η | 0.0008227 | Pa×s | 326.75 | Joback Calculated Property |
| η | 0.0005414 | Pa×s | 364.51 | Joback Calculated Property |
| η | 0.0003853 | Pa×s | 402.28 | Joback Calculated Property |
| η | 0.0002908 | Pa×s | 440.05 | Joback Calculated Property |
| η | 0.0002294 | Pa×s | 477.81 | Joback Calculated Property |
| η | 0.0001874 | Pa×s | 515.58 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Benzene, 1,2,3-trimethyl-4-propyl.
Sources
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