- InChI
- InChI=1S/C15H24/c1-10(2)13-7-14(11(3)4)9-15(8-13)12(5)6/h7-12H,1-6H3
- InChI Key
- VUMCUSHVMYIRMB-UHFFFAOYSA-N
- Formula
- C15H24
- SMILES
- CC(C)c1cc(C(C)C)cc(C(C)C)c1
- Molecular Weight1
- 204.35
- CAS
- 717-74-8
- Other Names
-
- 1,3,5-Triisopropylbenzene
- 2,4,6-Triisopropylbenzene
- Benzene, 1,3,5-triisopropyl-
- 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).
- ΔvapH : Enthalpy of vaporization at a given temperature (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).
- 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 | 0.4788 | Relay (1.0) Calculated Property | |
| ΔfG° | 161.25 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -167.92 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 17.30 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 64.60 ± 0.60 | kJ/mol | NIST |
| IE | 8.24 | eV | NIST |
| log10WS | -6.18 | Relay (1.0) Calculated Property | |
| logPoct/wat | 5.057 | Crippen Calculated Property | |
| McVol | 198.450 | ml/mol | McGowan Calculated Property |
| Pc | 1837.26 | kPa | Joback Calculated Property |
| Inp | [1277.00; 1329.00] |
|
|
| Inp | 1325.00 | NIST | |
| Inp | 1326.00 | NIST | |
| Inp | 1327.00 | NIST | |
| Inp | 1285.70 | NIST | |
| Inp | 1287.50 | NIST | |
| Inp | 1324.90 | NIST | |
| Inp | 1325.70 | NIST | |
| Inp | 1326.70 | NIST | |
| Inp | 1285.70 | NIST | |
| Inp | 1287.50 | NIST | |
| Inp | 1282.82 | NIST | |
| Inp | 1327.00 | NIST | |
| Inp | 1324.30 | NIST | |
| Inp | 1322.60 | NIST | |
| Inp | 1322.80 | NIST | |
| Inp | 1327.00 | NIST | |
| Inp | Outlier 1277.00 | NIST | |
| Inp | 1327.00 | NIST | |
| Inp | 1328.00 | NIST | |
| Inp | 1328.00 | NIST | |
| Inp | 1322.60 | NIST | |
| Inp | 1329.00 | NIST | |
| Inp | 1327.00 | NIST | |
| Inp | 1324.30 | NIST | |
| Ip | [1457.80; 1495.20] |
|
|
| Ip | 1457.80 | NIST | |
| Ip | 1495.20 | NIST | |
| Ip | 1481.00 | NIST | |
| Ip | 1482.00 | NIST | |
| Ip | 1482.00 | NIST | |
| Ip | 1483.00 | NIST | |
| Ip | 1487.00 | NIST | |
| Ip | 1480.00 | NIST | |
| Ip | 1458.00 | NIST | |
| Ip | 1458.00 | NIST | |
| Ip | 1457.80 | NIST | |
| Tboil | [507.20; 511.20] | K |
|
| Tboil | 507.20 | K | NIST |
| Tboil | 511.20 | K | NIST |
| Tboil | 509.40 ± 1.00 | K | NIST |
| Tc | 726.16 | K | Relay (1.0) Calculated Property |
| Tfus | [265.80; 265.95] | K |
|
| Tfus | 265.95 | K | Jean-Claude Bradley Open Melting Point Dataset (2014, CC0) Compiled value |
| Tfus | 265.80 ± 1.00 | K | NIST |
| Vc | 0.749 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| ΔvapH | [64.30; 67.40] | kJ/mol | [303.00; 335.00] |
|
| ΔvapH | 64.30 ± 0.30 | kJ/mol | 303.00 | NIST |
| ΔvapH | 67.40 | kJ/mol | 335.00 | NIST |
Correlations
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [270.59; 670.20] | 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 | -2.11000e+01 | |||
| Coefficient B | 1.24872e+00 | |||
| Coefficient C | -6.98920e-04 | |||
| Coefficient D | 1.41500e-07 | |||
| Coefficient E | 0.00000e+00 | |||
| Temperature range, min. | 273.00 | |||
| Temperature range, max. | 1000.00 | |||
| Cp,gas | 270.59 | J/mol×K | 273.00 | Calculated Property |
| Cp,gas | 339.46 | J/mol×K | 353.78 | Calculated Property |
| Cp,gas | 401.17 | J/mol×K | 434.56 | Calculated Property |
| Cp,gas | 456.16 | J/mol×K | 515.33 | Calculated Property |
| Cp,gas | 504.89 | J/mol×K | 596.11 | Calculated Property |
| Cp,gas | 547.80 | J/mol×K | 676.89 | Calculated Property |
| Cp,gas | 585.34 | J/mol×K | 757.67 | Calculated Property |
| Cp,gas | 617.95 | J/mol×K | 838.44 | Calculated Property |
| Cp,gas | 646.09 | J/mol×K | 919.22 | Calculated Property |
| Cp,gas | 670.20 | J/mol×K | 1000.00 | Calculated Property |
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| η | [0.0047084; 0.0001532] | Pa×s | [265.88; 548.55] |
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 | -1.20051e+01 | |||
| Coefficient B | 1.76720e+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. | 265.88 | |||
| Temperature range, max. | 548.55 | |||
| η | 0.0047084 | Pa×s | 265.88 | Calculated Property |
| η | 0.0023329 | Pa×s | 297.28 | Calculated Property |
| η | 0.0013219 | Pa×s | 328.69 | Calculated Property |
| η | 0.0008271 | Pa×s | 360.10 | Calculated Property |
| η | 0.0005579 | Pa×s | 391.51 | Calculated Property |
| η | 0.0003990 | Pa×s | 422.92 | Calculated Property |
| η | 0.0002989 | Pa×s | 454.33 | Calculated Property |
| η | 0.0002324 | Pa×s | 485.73 | Calculated Property |
| η | 0.0001863 | Pa×s | 517.14 | Calculated Property |
| η | 0.0001532 | Pa×s | 548.55 | Calculated Property |
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Pvap | [1.33; 202.65] | kPa | [383.42; 537.16] |
The Yaws Handbook of Vapor Pressure
|
| Equation | ln(Y) = A + B/(T + C) Y is Pvap in kPa, T in K | |||
| Coefficient A | 1.51205e+01 | |||
| Coefficient B | -4.45239e+03 | |||
| Coefficient C | -8.32500e+01 | |||
| Temperature range, min. | 383.42 | |||
| Temperature range, max. | 537.16 | |||
| Pvap | 1.33 | kPa | 383.42 | Calculated Property |
| Pvap | 2.96 | kPa | 400.50 | Calculated Property |
| Pvap | 6.07 | kPa | 417.58 | Calculated Property |
| Pvap | 11.60 | kPa | 434.67 | Calculated Property |
| Pvap | 20.86 | kPa | 451.75 | Calculated Property |
| Pvap | 35.63 | kPa | 468.83 | Calculated Property |
| Pvap | 58.16 | kPa | 485.91 | Calculated Property |
| Pvap | 91.21 | kPa | 503.00 | Calculated Property |
| Pvap | 138.09 | kPa | 520.08 | Calculated Property |
| Pvap | 202.65 | kPa | 537.16 | Calculated Property |
Similar Compounds
Find more compounds similar to Benzene, 1,3,5-tris(1-methylethyl)-.
Sources
- Jean-Claude Bradley Open Melting Point Dataset (2014, CC0) ChEDL chemicals 1.5.2, from Bradley, J.-C.; Williams, A.; Lang, A. Jean-Claude Bradley Open Melting Point Dataset. Figshare, 2014 (CC0).
- Cheméo Relay (1.0)
- Crippen Method
- Crippen Method
- Joback Method
- McGowan Method
- NIST Webbook
- The Yaws Handbook of Vapor Pressure
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