- InChI
- InChI=1S/C11H16/c1-11(2,3)9-10-7-5-4-6-8-10/h4-8H,9H2,1-3H3
- InChI Key
- CJGXJKVMUHXVHL-UHFFFAOYSA-N
- Formula
- C11H16
- SMILES
- CC(C)(C)Cc1ccccc1
- Molecular Weight1
- 148.24
- CAS
- 1007-26-7
- Other Names
-
- (2,2-dimethylpropyl)benzene
- 2,2-Dimethyl-1-phenylpropane
- 2,2-dimethylpropylbenzene
- Benzene, neopentyl-
- Neopentylbenzene
- t-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).
- 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).
- Inp : Non-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° | 15.38 | kJ/mol | Thermod... |
| ΔvapH° | 41.06 | kJ/mol | Joback Calculated Property |
| IE | [8.41; 8.80] | eV |
|
| IE | 8.41 ± 0.04 | eV | NIST |
| IE | 8.60 | eV | NIST |
| IE | 8.70 | eV | NIST |
| IE | 8.80 | eV | NIST |
| IE | 8.77 | eV | NIST |
| log10WS | [-4.15; -4.15] |
|
|
| log10WS | -4.15 | Aq. Sol... | |
| log10WS | -4.15 | Estimat... | |
| logPoct/wat | 3.275 | Crippen Calculated Property | |
| McVol | 142.090 | ml/mol | McGowan Calculated Property |
| Pc | 2701.41 | kPa | Joback Calculated Property |
| Inp | [1040.69; 1068.02] |
|
|
| Inp | 1048.00 | NIST | |
| Inp | 1040.69 | NIST | |
| Inp | 1049.08 | NIST | |
| Inp | 1052.19 | NIST | |
| Inp | 1060.23 | NIST | |
| Inp | 1064.88 | NIST | |
| Inp | 1068.02 | NIST | |
| Inp | 1048.00 | NIST | |
| Inp | 1058.00 | NIST | |
| Inp | 1048.00 | NIST | |
| Inp | 1048.00 | NIST | |
| Inp | 1048.00 | NIST | |
| Inp | 1040.69 | NIST | |
| Inp | 1068.02 | NIST | |
| Inp | 1058.00 | NIST | |
| Tboil | [457.50; 459.00] | K |
|
| Tboil | 458.70 | K | NIST |
| Tboil | 457.50 ± 0.50 | K | NIST |
| Tboil | 459.00 ± 4.00 | K | NIST |
| 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 |
Similar Compounds
Find more compounds similar to Benzene, (2,2-dimethylpropyl)-.
Sources
- Crippen Method
- Thermodynamic properties of neopentylbenzene over the range from T approaching (0 to 350) K
- Joback Method
- Aqueous Solubility Prediction Method
- Estimated Solubility Method
- McGowan Method
- NIST Webbook
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