- InChI
- InChI=1S/C12H18/c1-9(2)11-6-5-7-12(8-11)10(3)4/h5-10H,1-4H3
- InChI Key
- UNEATYXSUBPPKP-UHFFFAOYSA-N
- Formula
- C12H18
- SMILES
- CC(C)c1cccc(C(C)C)c1
- Molecular Weight1
- 162.27
- CAS
- 99-62-7
- Other Names
-
- 1,3-DIISOPROPYLBENZENE
- 1,3-bis(1-methylethyl)benzene
- 3-Isopropylcumene
- Benzene, 1,3-di-(1-methylethyl)
- Benzene, m-diisopropyl-
- m-Diisopropylbenzene
- meta-Diisopropylbenzene
- 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).
- ΔfH°liquid : Liquid phase 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).
- 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).
- ρl : Liquid Density (kg/m3).
- 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).
- Zc : Critical Compressibility.
- 1: Molecular weight from the IUPAC atomic weights tables.
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Physical Properties
| Property | Value | Unit | Source |
|---|---|---|---|
| ΔfG° | 148.06 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -76.51 | kJ/mol | Joback Calculated Property |
| ΔfH°liquid | -132.30 | kJ/mol | NIST |
| ΔfusH° | 13.44 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 56.20 ± 0.80 | kJ/mol | NIST |
| log10WS | -3.84 | Crippen Calculated Property | |
| logPoct/wat | 3.933 | Crippen Calculated Property | |
| McVol | 156.180 | ml/mol | McGowan Calculated Property |
| Pc | 2349.00 | kPa | KDB |
| Inp | [1113.00; 1161.00] |
|
|
| Inp | 1141.00 | NIST | |
| Inp | 1141.00 | NIST | |
| Inp | 1143.00 | NIST | |
| Inp | 1143.00 | NIST | |
| Inp | 1147.00 | NIST | |
| Inp | 1151.00 | NIST | |
| Inp | 1116.30 | NIST | |
| Inp | 1118.80 | NIST | |
| Inp | 1142.70 | NIST | |
| Inp | 1146.80 | NIST | |
| Inp | 1150.70 | NIST | |
| Inp | 1116.70 | NIST | |
| Inp | 1118.80 | NIST | |
| Inp | 1120.00 | NIST | |
| Inp | 1115.13 | NIST | |
| Inp | 1135.20 | NIST | |
| Inp | 1139.00 | NIST | |
| Inp | 1142.75 | NIST | |
| Inp | Outlier 1161.00 | NIST | |
| Inp | 1127.00 | NIST | |
| Inp | 1136.20 | NIST | |
| Inp | 1141.00 | NIST | |
| Inp | 1139.00 | NIST | |
| Inp | 1143.00 | NIST | |
| Inp | 1143.00 | NIST | |
| Inp | 1147.00 | NIST | |
| Inp | 1147.00 | NIST | |
| Inp | 1113.00 | NIST | |
| Inp | 1122.00 | NIST | |
| Inp | 1127.00 | NIST | |
| Inp | 1141.00 | NIST | |
| Inp | 1142.00 | NIST | |
| Inp | 1135.00 | NIST | |
| Inp | 1143.00 | NIST | |
| Inp | 1122.00 | NIST | |
| I | [1321.00; 1389.00] |
|
|
| I | 1342.20 | NIST | |
| I | 1330.00 | NIST | |
| I | 1376.00 | NIST | |
| I | 1361.00 | NIST | |
| I | 1362.00 | NIST | |
| I | 1362.00 | NIST | |
| I | 1370.00 | NIST | |
| I | 1380.00 | NIST | |
| I | 1389.00 | NIST | |
| I | 1354.00 | NIST | |
| I | 1330.00 | NIST | |
| I | 1321.00 | NIST | |
| I | 1331.00 | NIST | |
| I | 1376.00 | NIST | |
| Tboil | [476.20; 476.40] | K |
|
| Tboil | 476.35 | K | KDB |
| Tboil | 476.40 | K | NIST |
| Tboil | 476.33 ± 2.00 | K | NIST |
| Tboil | 476.20 ± 2.00 | K | NIST |
| Tc | 664.35 | K | KDB |
| Tfus | [210.02; 210.05] | K |
|
| Tfus | 210.05 | K | KDB |
| Tfus | 210.02 ± 2.00 | K | NIST |
| Vc | 0.583 | m3/kmol | KDB |
| Zc | 0.2478810 | KDB |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [346.60; 437.55] | J/mol×K | [504.74; 714.27] |
|
| Cp,gas | 346.60 | J/mol×K | 504.74 | Joback Calculated Property |
| Cp,gas | 364.01 | J/mol×K | 539.66 | Joback Calculated Property |
| Cp,gas | 380.47 | J/mol×K | 574.58 | Joback Calculated Property |
| Cp,gas | 396.02 | J/mol×K | 609.51 | Joback Calculated Property |
| Cp,gas | 410.70 | J/mol×K | 644.43 | Joback Calculated Property |
| Cp,gas | 424.53 | J/mol×K | 679.35 | Joback Calculated Property |
| Cp,gas | 437.55 | J/mol×K | 714.27 | Joback Calculated Property |
| η | [0.0001786; 0.0055461] | Pa×s | [233.94; 504.74] |
|
| η | 0.0055461 | Pa×s | 233.94 | Joback Calculated Property |
| η | 0.0019687 | Pa×s | 279.07 | Joback Calculated Property |
| η | 0.0009324 | Pa×s | 324.21 | Joback Calculated Property |
| η | 0.0005301 | Pa×s | 369.34 | Joback Calculated Property |
| η | 0.0003408 | Pa×s | 414.47 | Joback Calculated Property |
| η | 0.0002390 | Pa×s | 459.61 | Joback Calculated Property |
| η | 0.0001786 | Pa×s | 504.74 | Joback Calculated Property |
| ΔvapH | [48.90; 56.00] | kJ/mol | [300.50; 432.00] |
|
| ΔvapH | 56.00 ± 0.80 | kJ/mol | 300.50 | NIST |
| ΔvapH | 48.90 | kJ/mol | 432.00 | NIST |
| ρl | 860.05 | kg/m3 | 293.10 | KDB |
Correlations
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Pvap | [1.33; 202.64] | kPa | [347.10; 508.77] |
The Yaw...
|
| Equation | ln(Pvp) = A + B/(T + C) | |||
| Coefficient A | 1.41482e+01 | |||
| Coefficient B | -3.94159e+03 | |||
| Coefficient C | -6.27270e+01 | |||
| Temperature range, min. | 347.10 | |||
| Temperature range, max. | 508.77 | |||
| Pvap | 1.33 | kPa | 347.10 | Calculated Property |
| Pvap | 3.04 | kPa | 365.06 | Calculated Property |
| Pvap | 6.31 | kPa | 383.03 | Calculated Property |
| Pvap | 12.13 | kPa | 400.99 | Calculated Property |
| Pvap | 21.83 | kPa | 418.95 | Calculated Property |
| Pvap | 37.14 | kPa | 436.92 | Calculated Property |
| Pvap | 60.16 | kPa | 454.88 | Calculated Property |
| Pvap | 93.44 | kPa | 472.84 | Calculated Property |
| Pvap | 139.86 | kPa | 490.81 | Calculated Property |
| Pvap | 202.64 | kPa | 508.77 | Calculated Property |
| Pvap | [3.33e-06; 2448.24] | kPa | [210.02; 684.00] |
KDB Vap...
|
| Equation | ln(Pvp) = A + B/T + C*ln(T) + D*T^2 | |||
| Coefficient A | 7.11326e+01 | |||
| Coefficient B | -8.76552e+03 | |||
| Coefficient C | -7.87128e+00 | |||
| Coefficient D | 1.85746e-06 | |||
| Temperature range, min. | 210.02 | |||
| Temperature range, max. | 684.00 | |||
| Pvap | 3.33e-06 | kPa | 210.02 | Calculated Property |
| Pvap | 2.58e-03 | kPa | 262.68 | Calculated Property |
| Pvap | 0.17 | kPa | 315.35 | Calculated Property |
| Pvap | 2.89 | kPa | 368.01 | Calculated Property |
| Pvap | 21.49 | kPa | 420.68 | Calculated Property |
| Pvap | 94.14 | kPa | 473.34 | Calculated Property |
| Pvap | 288.93 | kPa | 526.01 | Calculated Property |
| Pvap | 692.13 | kPa | 578.67 | Calculated Property |
| Pvap | 1388.67 | kPa | 631.34 | Calculated Property |
| Pvap | 2448.24 | kPa | 684.00 | Calculated Property |
Similar Compounds
Find more compounds similar to Benzene, 1,3-bis(1-methylethyl)-.
Sources
- KDB Vapor Pressure Data
- Crippen Method
- Crippen Method
- Joback Method
- KDB
- McGowan Method
- NIST Webbook
- The Yaws Handbook of Vapor Pressure
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