- InChI
- InChI=1S/C13H20/c1-9(2)12-6-11(5)7-13(8-12)10(3)4/h6-10H,1-5H3
- InChI Key
- SOALUUXENHDLMW-UHFFFAOYSA-N
- Formula
- C13H20
- SMILES
- Cc1cc(C(C)C)cc(C(C)C)c1
- Molecular Weight1
- 176.30
- CAS
- 3055-14-9
- Other Names
-
- 1,3-Di-isopropyl-5-methylbenzene
- Toluene, 3,5-diisopropyl-
- 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).
- Inp : Non-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 | 0.4381 | Relay (1.0) Calculated Property | |
| ΔfG° | 146.85 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -109.42 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 15.64 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 61.24 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 8.14 | eV | Relay (1.0) Calculated Property |
| log10WS | -5.38 | Relay (1.0) Calculated Property | |
| logPoct/wat | 4.242 | Crippen Calculated Property | |
| McVol | 170.270 | ml/mol | McGowan Calculated Property |
| Pc | 2165.35 | kPa | Joback Calculated Property |
| Inp | [1206.00; 1206.00] |
|
|
| Inp | 1206.00 | NIST | |
| Inp | 1206.00 | NIST | |
| Tboil | 495.54 | K | Relay (1.0) Calculated Property |
| Tc | 700.29 | K | Relay (1.0) Calculated Property |
| Tfus | 212.00 ± 1.00 | K | NIST |
| Vc | 0.640 | m3/kmol | Relay (1.0) Calculated Property |
Correlations
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [228.48; 566.48] | 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 | -1.76000e+01 | |||
| Coefficient B | 1.05280e+00 | |||
| Coefficient C | -5.86920e-04 | |||
| Coefficient D | 1.18200e-07 | |||
| Coefficient E | 0.00000e+00 | |||
| Temperature range, min. | 273.00 | |||
| Temperature range, max. | 1000.00 | |||
| Cp,gas | 228.48 | J/mol×K | 273.00 | Calculated Property |
| Cp,gas | 286.63 | J/mol×K | 353.78 | Calculated Property |
| Cp,gas | 338.77 | J/mol×K | 434.56 | Calculated Property |
| Cp,gas | 385.25 | J/mol×K | 515.33 | Calculated Property |
| Cp,gas | 426.46 | J/mol×K | 596.11 | Calculated Property |
| Cp,gas | 462.77 | J/mol×K | 676.89 | Calculated Property |
| Cp,gas | 494.56 | J/mol×K | 757.67 | Calculated Property |
| Cp,gas | 522.19 | J/mol×K | 838.44 | Calculated Property |
| Cp,gas | 546.04 | J/mol×K | 919.22 | Calculated Property |
| Cp,gas | 566.48 | J/mol×K | 1000.00 | Calculated Property |
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| η | [0.0128856; 0.0001756] | Pa×s | [212.00; 518.25] |
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 | -1.16208e+01 | |||
| Coefficient B | 1.54106e+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. | 212.00 | |||
| Temperature range, max. | 518.25 | |||
| η | 0.0128856 | Pa×s | 212.00 | Calculated Property |
| η | 0.0047148 | Pa×s | 246.03 | Calculated Property |
| η | 0.0022026 | Pa×s | 280.06 | Calculated Property |
| η | 0.0012135 | Pa×s | 314.08 | Calculated Property |
| η | 0.0007512 | Pa×s | 348.11 | Calculated Property |
| η | 0.0005064 | Pa×s | 382.14 | Calculated Property |
| η | 0.0003642 | Pa×s | 416.17 | Calculated Property |
| η | 0.0002753 | Pa×s | 450.20 | Calculated Property |
| η | 0.0002164 | Pa×s | 484.22 | Calculated Property |
| η | 0.0001756 | Pa×s | 518.25 | Calculated Property |
Similar Compounds
Find more compounds similar to Benzene, 1-methyl-3,5-bis(1-methylethyl)-.
Sources
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