- InChI
- InChI=1S/C11H16/c1-4-11(2,3)10-8-6-5-7-9-10/h5-9H,4H2,1-3H3
- InChI Key
- QHTJSSMHBLGUHV-UHFFFAOYSA-N
- Formula
- C11H16
- SMILES
- CCC(C)(C)c1ccccc1
- Molecular Weight1
- 148.24
- CAS
- 2049-95-8
- Other Names
-
- (1,1-Dimethylpropyl)benzene
- 2-Methyl-2-phenylbutane
- 2-Phenyl-2-methylbutane
- 2-methylbutan-2-ylbenzene
- Benzene, tert-pentyl-
- benzene, tert-amyl-
- tert-Amylbenzene
- tert-Pentylbenzene
- 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).
- 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.
- 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 |
|---|---|---|---|
| ΔfG° | 156.99 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -42.59 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 10.87 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 52.30 ± 0.30 | kJ/mol | NIST |
| log10WS | -4.15 | Aq. Sol... | |
| logPoct/wat | 3.374 | Crippen Calculated Property | |
| McVol | 142.090 | ml/mol | McGowan Calculated Property |
| Pc | 2701.41 | kPa | Joback Calculated Property |
| Inp | [1062.21; 1102.40] |
|
|
| Inp | 1067.00 | NIST | |
| Inp | 1068.00 | NIST | |
| Inp | 1086.00 | NIST | |
| Inp | 1093.00 | NIST | |
| Inp | 1102.00 | NIST | |
| Inp | 1065.90 | NIST | |
| Inp | 1069.50 | NIST | |
| Inp | 1085.50 | NIST | |
| Inp | 1093.30 | NIST | |
| Inp | 1102.40 | NIST | |
| Inp | 1065.90 | NIST | |
| Inp | 1065.90 | NIST | |
| Inp | 1065.90 | NIST | |
| Inp | 1069.50 | NIST | |
| Inp | 1062.21 | NIST | |
| Inp | 1070.50 | NIST | |
| Inp | 1070.30 | NIST | |
| Inp | 1076.00 | NIST | |
| Inp | 1096.00 | NIST | |
| Inp | 1090.00 | NIST | |
| Inp | 1079.00 | NIST | |
| Inp | 1079.30 | NIST | |
| Inp | 1072.17 | NIST | |
| Inp | 1077.18 | NIST | |
| Inp | 1080.48 | NIST | |
| Inp | 1089.28 | NIST | |
| Inp | 1094.66 | NIST | |
| Inp | 1098.17 | NIST | |
| Inp | 1076.00 | NIST | |
| Inp | 1093.00 | NIST | |
| Inp | 1086.00 | NIST | |
| Inp | 1082.00 | NIST | |
| Inp | 1083.00 | NIST | |
| Inp | 1088.00 | NIST | |
| Inp | 1082.00 | NIST | |
| Inp | 1083.00 | NIST | |
| Inp | 1070.00 | NIST | |
| Inp | 1085.00 | NIST | |
| Inp | 1082.00 | NIST | |
| I | [1328.00; 1340.00] |
|
|
| I | 1328.00 | NIST | |
| I | 1328.00 | NIST | |
| I | 1340.00 | NIST | |
| Tboil | 474.53 | K | Joback Calculated Property |
| Tc | 690.01 | K | Joback Calculated Property |
| Tfus | 242.57 | K | Joback Calculated Property |
| Vc | 0.532 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [302.58; 391.69] | J/mol×K | [474.53; 690.01] |
|
| Cp,gas | 302.58 | J/mol×K | 474.53 | Joback Calculated Property |
| Cp,gas | 320.10 | J/mol×K | 510.44 | Joback Calculated Property |
| Cp,gas | 336.48 | J/mol×K | 546.36 | Joback Calculated Property |
| Cp,gas | 351.76 | J/mol×K | 582.27 | Joback Calculated Property |
| Cp,gas | 366.02 | J/mol×K | 618.19 | Joback Calculated Property |
| Cp,gas | 379.31 | J/mol×K | 654.10 | Joback Calculated Property |
| Cp,gas | 391.69 | J/mol×K | 690.01 | Joback Calculated Property |
| η | [0.0002169; 0.0056791] | Pa×s | [242.57; 474.53] |
|
| η | 0.0056791 | Pa×s | 242.57 | Joback Calculated Property |
| η | 0.0022674 | Pa×s | 281.23 | Joback Calculated Property |
| η | 0.0011302 | Pa×s | 319.89 | Joback Calculated Property |
| η | 0.0006546 | Pa×s | 358.55 | Joback Calculated Property |
| η | 0.0004217 | Pa×s | 397.21 | Joback Calculated Property |
| η | 0.0002937 | Pa×s | 435.87 | Joback Calculated Property |
| η | 0.0002169 | Pa×s | 474.53 | Joback Calculated Property |
Correlations
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Pvap | [1.33; 202.66] | kPa | [341.14; 496.91] |
The Yaw...
|
| Equation | ln(Pvp) = A + B/(T + C) | |||
| Coefficient A | 1.40335e+01 | |||
| Coefficient B | -3.71739e+03 | |||
| Coefficient C | -7.07020e+01 | |||
| Temperature range, min. | 341.14 | |||
| Temperature range, max. | 496.91 | |||
| Pvap | 1.33 | kPa | 341.14 | Calculated Property |
| Pvap | 3.05 | kPa | 358.45 | Calculated Property |
| Pvap | 6.34 | kPa | 375.76 | Calculated Property |
| Pvap | 12.20 | kPa | 393.06 | Calculated Property |
| Pvap | 21.96 | kPa | 410.37 | Calculated Property |
| Pvap | 37.34 | kPa | 427.68 | Calculated Property |
| Pvap | 60.43 | kPa | 444.99 | Calculated Property |
| Pvap | 93.74 | kPa | 462.29 | Calculated Property |
| Pvap | 140.10 | kPa | 479.60 | Calculated Property |
| Pvap | 202.66 | kPa | 496.91 | Calculated Property |
Similar Compounds
Find more compounds similar to Benzene, (1,1-dimethylpropyl)-.
Sources
- Crippen Method
- Thermochemistry of ionic liquid-catalysed reactions. Isomerisation and transalkylation of tert-alkyl-benzenes. Are these systems ideal?
- Joback Method
- Aqueous Solubility Prediction Method
- McGowan Method
- NIST Webbook
- The Yaws Handbook of Vapor Pressure
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