- InChI
- InChI=1S/C12H18/c1-5-6-12-10(3)8-7-9(2)11(12)4/h7-8H,5-6H2,1-4H3
- InChI Key
- JUPPEKKHIQNJNM-UHFFFAOYSA-N
- Formula
- C12H18
- SMILES
- CCCc1c(C)ccc(C)c1C
- Molecular Weight1
- 162.28
- Other Names
-
- 1,2,4-Trimethyl-3-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.
- Ip : 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 | 0.4538 | Relay (1.0) Calculated Property | |
| ΔfH°gas | -68.38 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 19.71 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 62.81 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 8.03 | 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; 1297.00] |
|
|
| Inp | 1297.00 | NIST | |
| Inp | 1297.00 | NIST | |
| Ip | [1538.00; 1538.00] |
|
|
| Ip | 1538.00 | NIST | |
| Ip | 1538.00 | NIST | |
| Ip | 1538.00 | NIST | |
| Ip | 1538.00 | NIST | |
| Tboil | 502.02 | K | Relay (1.0) Calculated Property |
| Tc | 704.84 | K | Relay (1.0) Calculated Property |
| Tfus | 251.16 | K | Relay (1.0) Calculated Property |
| Vc | 0.582 | 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.
Correlations
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [210.44; 510.77] | 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 | 9.72000e-01 | |||
| Coefficient B | 8.86480e-01 | |||
| Coefficient C | -4.59080e-04 | |||
| Coefficient D | 8.24000e-08 | |||
| Coefficient E | 0.00000e+00 | |||
| Temperature range, min. | 273.00 | |||
| Temperature range, max. | 1000.00 | |||
| Cp,gas | 210.44 | J/mol×K | 273.00 | Calculated Property |
| Cp,gas | 260.78 | J/mol×K | 353.78 | Calculated Property |
| Cp,gas | 306.27 | J/mol×K | 434.56 | Calculated Property |
| Cp,gas | 347.16 | J/mol×K | 515.33 | Calculated Property |
| Cp,gas | 383.73 | J/mol×K | 596.11 | Calculated Property |
| Cp,gas | 416.24 | J/mol×K | 676.89 | Calculated Property |
| Cp,gas | 444.93 | J/mol×K | 757.67 | Calculated Property |
| Cp,gas | 470.08 | J/mol×K | 838.44 | Calculated Property |
| Cp,gas | 491.94 | J/mol×K | 919.22 | Calculated Property |
| Cp,gas | 510.77 | J/mol×K | 1000.00 | Calculated Property |
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| η | [0.0013949; 0.0001997] | Pa×s | [288.98; 503.01] |
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 | -1.11427e+01 | |||
| Coefficient B | 1.32000e+03 | |||
| Coefficient C | 0.00000e+00 | |||
| Coefficient D | 0.00000e+00 | |||
| Coefficient E | 0.00000e+00 | |||
| Comment | Liquid phase. Joback/Reid (1987), valid from Tf to 0.7·Tc. | |||
| Temperature range, min. | 288.98 | |||
| Temperature range, max. | 503.01 | |||
| η | 0.0013949 | Pa×s | 288.98 | Calculated Property |
| η | 0.0009856 | Pa×s | 312.76 | Calculated Property |
| η | 0.0007315 | Pa×s | 336.54 | Calculated Property |
| η | 0.0005646 | Pa×s | 360.32 | Calculated Property |
| η | 0.0004501 | Pa×s | 384.10 | Calculated Property |
| η | 0.0003683 | Pa×s | 407.89 | Calculated Property |
| η | 0.0003082 | Pa×s | 431.67 | Calculated Property |
| η | 0.0002627 | Pa×s | 455.45 | Calculated Property |
| η | 0.0002275 | Pa×s | 479.23 | Calculated Property |
| η | 0.0001997 | Pa×s | 503.01 | Calculated Property |
Similar Compounds
Find more compounds similar to Benzene, 1,2,4-trimethyl-3-propyl.
Sources
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