- 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
- 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).
- 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).
- 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).
- ρl : Liquid Density (kg/m3).
- 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).
- Zc : Critical Compressibility.
- 1: Molecular weight from the IUPAC atomic weights tables.
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Physical Properties
| Property | Value | Unit | Source |
|---|---|---|---|
| ω | 0.4858 | PSRK revision IV (2005), critical constants and acentric factors of 1000 components Compiled value | |
| ΔfG° | 148.06 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -86.91 | kJ/mol | Relay (1.0) 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 |
| IE | 8.34 | eV | Relay (1.0) Calculated Property |
| log10WS | -4.89 | Relay (1.0) Calculated Property | |
| logPoct/wat | 3.933 | Crippen Calculated Property | |
| McVol | 156.180 | ml/mol | McGowan Calculated Property |
| Pc | [2348.71; 2349.00] | kPa |
|
| Pc | 2348.71 | kPa | PSRK revision IV (2005), critical constants and acentric factors of 1000 components Compiled value |
| 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 | Outlier 1113.00 | NIST | |
| Inp | 1122.00 | NIST | |
| Inp | 1127.00 | NIST | |
| Inp | 1141.00 | NIST | |
| Inp | 1142.00 | NIST | |
| Inp | 1135.00 | NIST | |
| Inp | 1142.00 | NIST | |
| Inp | 1143.00 | NIST | |
| Inp | 1122.00 | NIST | |
| Inp | 1141.00 | NIST | |
| Inp | 1151.00 | NIST | |
| Inp | 1150.70 | NIST | |
| Inp | 1135.20 | NIST | |
| Ip | [1321.00; 1389.00] |
|
|
| Ip | 1342.20 | NIST | |
| Ip | 1330.00 | NIST | |
| Ip | 1376.00 | NIST | |
| Ip | 1361.00 | NIST | |
| Ip | 1362.00 | NIST | |
| Ip | 1362.00 | NIST | |
| Ip | 1370.00 | NIST | |
| Ip | 1380.00 | NIST | |
| Ip | 1389.00 | NIST | |
| Ip | 1354.00 | NIST | |
| Ip | 1330.00 | NIST | |
| Ip | 1321.00 | NIST | |
| Ip | 1331.00 | NIST | |
| Ip | 1376.00 | NIST | |
| Ip | 1362.00 | NIST | |
| Ip | 1354.00 | NIST | |
| Ip | 1321.00 | 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; 664.35] | K |
|
| Tc | 664.35 | K | PSRK revision IV (2005), critical constants and acentric factors of 1000 components Compiled value |
| Tc | 664.35 | K | KDB |
| Tfus | [210.02; 210.15] | K |
|
| Tfus | 210.15 | K | Jean-Claude Bradley Open Melting Point Dataset (2014, CC0) Compiled value |
| Tfus | 210.05 | K | KDB |
| Tfus | 210.02 ± 2.00 | K | NIST |
| Vc | [0.583; 0.583] | m3/kmol |
|
| Vc | 0.583 | m3/kmol | PSRK revision IV (2005), critical constants and acentric factors of 1000 components Compiled value |
| Vc | 0.583 | m3/kmol | KDB |
| Zc | 0.2478810 | KDB |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| 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 |
|---|---|---|---|---|
| Cp,gas | [204.71; 517.93] | 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 | -3.09900e+01 | |||
| Coefficient B | 1.01728e+00 | |||
| Coefficient C | -5.99560e-04 | |||
| Coefficient D | 1.31200e-07 | |||
| Coefficient E | 0.00000e+00 | |||
| Temperature range, min. | 273.00 | |||
| Temperature range, max. | 1000.00 | |||
| Cp,gas | 204.71 | J/mol×K | 273.00 | Calculated Property |
| Cp,gas | 259.67 | J/mol×K | 353.78 | Calculated Property |
| Cp,gas | 308.62 | J/mol×K | 434.56 | Calculated Property |
| Cp,gas | 351.98 | J/mol×K | 515.33 | Calculated Property |
| Cp,gas | 390.16 | J/mol×K | 596.11 | Calculated Property |
| Cp,gas | 423.58 | J/mol×K | 676.89 | Calculated Property |
| Cp,gas | 452.65 | J/mol×K | 757.67 | Calculated Property |
| Cp,gas | 477.79 | J/mol×K | 838.44 | Calculated Property |
| Cp,gas | 499.41 | J/mol×K | 919.22 | Calculated Property |
| Cp,gas | 517.93 | J/mol×K | 1000.00 | Calculated Property |
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| η | [0.0114806; 0.0002301] | Pa×s | [210.07; 465.04] |
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 | -1.15987e+01 | |||
| Coefficient B | 1.49816e+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. | 210.07 | |||
| Temperature range, max. | 465.04 | |||
| η | 0.0114806 | Pa×s | 210.07 | Calculated Property |
| η | 0.0049194 | Pa×s | 238.40 | Calculated Property |
| η | 0.0025237 | Pa×s | 266.73 | Calculated Property |
| η | 0.0014718 | Pa×s | 295.06 | Calculated Property |
| η | 0.0009433 | Pa×s | 323.39 | Calculated Property |
| η | 0.0006496 | Pa×s | 351.72 | Calculated Property |
| η | 0.0004728 | Pa×s | 380.05 | Calculated Property |
| η | 0.0003597 | Pa×s | 408.38 | Calculated Property |
| η | 0.0002835 | Pa×s | 436.71 | Calculated Property |
| η | 0.0002301 | Pa×s | 465.04 | Calculated Property |
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Pvap | [1.33; 202.64] | kPa | [347.10; 508.77] |
The Yaws Handbook of Vapor Pressure
|
| Equation | ln(Y) = A + B/(T + C) Y is Pvap in kPa, T in K | |||
| 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 Vapor Pressure Data
|
| Equation | ln(Y) = A + B/T + C·ln(T) + D·T² + E/T² Y is Pvap in kPa, T in K | |||
| Coefficient A | 7.11326e+01 | |||
| Coefficient B | -8.76552e+03 | |||
| Coefficient C | -7.87128e+00 | |||
| Coefficient D | 1.85746e-06 | |||
| Coefficient E | 0.00000e+00 | |||
| 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
- 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).
- PSRK revision IV (2005), critical constants and acentric factors of 1000 components ChEDL chemicals 1.5.2, from Horstmann, S.; Jabłoniec, A.; Krafczyk, J.; Fischer, K.; Gmehling, J. PSRK Group Contribution Equation of State: Comprehensive Revision and Extension IV, Including Critical Constants and α-Function Parameters for 1000 Components. Fluid Phase Equilib. 2005, 227, 157-164.
- Cheméo Relay (1.0)
- Crippen Method
- Crippen Method
- Joback Method
- KDB
- McGowan Method
- NIST Webbook
- The Yaws Handbook of Vapor Pressure
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