- InChI
- InChI=1S/C13H20/c1-9(2)12-7-6-11(5)13(8-12)10(3)4/h6-10H,1-5H3
- InChI Key
- LDBOQVVHBQWYRE-UHFFFAOYSA-N
- Formula
- C13H20
- SMILES
- Cc1ccc(C(C)C)cc1C(C)C
- Molecular Weight1
- 176.30
- CAS
- 1460-98-6
- Other Names
-
- 1-Methyl-2,4-diisopropylbenzene
- 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).
- Pvap : Vapor pressure (kPa).
- 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 | 0.4332 | Relay (1.0) Calculated Property | |
| ΔfG° | 146.85 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -100.87 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 15.64 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 61.93 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 8.11 | eV | Relay (1.0) Calculated Property |
| log10WS | -5.18 | 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 |
| I | 1364.10 | NIST | |
| Tboil | 499.45 | K | Relay (1.0) Calculated Property |
| Tc | 700.75 | K | Relay (1.0) Calculated Property |
| Tfus | 292.74 | K | Relay (1.0) Calculated Property |
| Vc | 0.634 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [394.49; 488.00] | J/mol×K | [532.60; 740.08] | 
|
| Cp,gas | 394.49 | J/mol×K | 532.60 | Joback Calculated Property |
| Cp,gas | 412.29 | J/mol×K | 567.18 | Joback Calculated Property |
| Cp,gas | 429.16 | J/mol×K | 601.76 | Joback Calculated Property |
| Cp,gas | 445.14 | J/mol×K | 636.34 | Joback Calculated Property |
| Cp,gas | 460.25 | J/mol×K | 670.92 | Joback Calculated Property |
| Cp,gas | 474.53 | J/mol×K | 705.50 | Joback Calculated Property |
| Cp,gas | 488.00 | J/mol×K | 740.08 | Joback Calculated Property |
| η | [0.0001621; 0.0035478] | Pa×s | [257.73; 532.60] |
|
| η | 0.0035478 | Pa×s | 257.73 | Joback Calculated Property |
| η | 0.0014389 | Pa×s | 303.54 | Joback Calculated Property |
| η | 0.0007394 | Pa×s | 349.35 | Joback Calculated Property |
| η | 0.0004434 | Pa×s | 395.17 | Joback Calculated Property |
| η | 0.0002957 | Pa×s | 440.98 | Joback Calculated Property |
| η | 0.0002128 | Pa×s | 486.79 | Joback Calculated Property |
| η | 0.0001621 | Pa×s | 532.60 | Joback Calculated Property |
Correlations
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Pvap | [1.33; 202.67] | kPa | [372.22; 527.77] |
The Yaws Handbook of Vapor Pressure
|
| Equation | ln(Pvp) = A + B/(T + C) | |||
| Coefficient A | 1.47705e+01 | |||
| Coefficient B | -4.24149e+03 | |||
| Coefficient C | -7.93580e+01 | |||
| Temperature range, min. | 372.22 | |||
| Temperature range, max. | 527.77 | |||
| Pvap | 1.33 | kPa | 372.22 | Calculated Property |
| Pvap | 2.99 | kPa | 389.50 | Calculated Property |
| Pvap | 6.15 | kPa | 406.79 | Calculated Property |
| Pvap | 11.78 | kPa | 424.07 | Calculated Property |
| Pvap | 21.19 | kPa | 441.35 | Calculated Property |
| Pvap | 36.14 | kPa | 458.64 | Calculated Property |
| Pvap | 58.84 | kPa | 475.92 | Calculated Property |
| Pvap | 91.97 | kPa | 493.20 | Calculated Property |
| Pvap | 138.71 | kPa | 510.49 | Calculated Property |
| Pvap | 202.67 | kPa | 527.77 | Calculated Property |
Similar Compounds
Find more compounds similar to 2,4-Diisopropyl toluene.
Sources
- Cheméo Relay (1.0)
- Crippen Method
- Crippen Method
- Joback Method
- McGowan Method
- NIST Webbook
- The Yaws Handbook of Vapor Pressure
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