- InChI
- InChI=1S/C11H16/c1-3-4-7-11-8-5-6-10(2)9-11/h5-6,8-9H,3-4,7H2,1-2H3
- InChI Key
- OAPCPUDMDJIBOQ-UHFFFAOYSA-N
- Formula
- C11H16
- SMILES
- CCCCc1cccc(C)c1
- Molecular Weight1
- 148.24
- CAS
- 1595-04-6
- Other Names
-
- Toluene, m-butyl-
- 1-Methyl-3-n-Butylbenzene
- Benzene, 1-methyl-3-butyl-
- 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.
- I : Polar retention indices.
- Tboil : Normal Boiling Point Temperature (K).
- Tboilr : Boiling point at reduced pressure (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° | 144.52 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -45.31 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 17.90 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 43.02 | kJ/mol | Joback Calculated Property |
| IE | 8.40 ± 0.10 | eV | NIST |
| log10WS | -3.59 | Crippen Calculated Property | |
| logPoct/wat | 3.338 | Crippen Calculated Property | |
| McVol | 142.090 | ml/mol | McGowan Calculated Property |
| Pc | 2608.40 | kPa | Joback Calculated Property |
| Inp | [1130.00; 1152.00] |
|
|
| Inp | 1140.00 | NIST | |
| Inp | 1130.00 | NIST | |
| Inp | 1141.00 | NIST | |
| Inp | 1146.00 | NIST | |
| Inp | 1152.00 | NIST | |
| Inp | 1140.70 | NIST | |
| Inp | 1145.70 | NIST | |
| Inp | 1151.50 | NIST | |
| Inp | 1140.60 | NIST | |
| Inp | 1133.00 | NIST | |
| Inp | 1130.00 | NIST | |
| Inp | 1141.00 | NIST | |
| Inp | 1152.00 | NIST | |
| Inp | 1140.00 | NIST | |
| Inp | 1141.00 | NIST | |
| Inp | 1144.00 | NIST | |
| Inp | 1146.00 | NIST | |
| Inp | 1140.00 | NIST | |
| Inp | 1140.00 | NIST | |
| Inp | 1139.00 | NIST | |
| Inp | 1140.00 | NIST | |
| Inp | 1140.70 | NIST | |
| I | [1370.80; 1371.00] |
|
|
| I | 1370.80 | NIST | |
| I | 1371.00 | NIST | |
| I | 1371.00 | NIST | |
| I | 1371.00 | NIST | |
| I | 1370.80 | NIST | |
| Tboil | [471.00; 478.20] | K |
|
| Tboil | 478.20 | K | NIST |
| Tboil | 471.00 ± 5.00 | K | NIST |
| Tc | 685.93 | K | Joback Calculated Property |
| Tfus | 252.67 | K | Joback Calculated Property |
| Vc | 0.543 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [300.77; 383.12] | J/mol×K | [482.74; 685.93] |
|
| Cp,gas | 300.77 | J/mol×K | 482.74 | Joback Calculated Property |
| Cp,gas | 316.42 | J/mol×K | 516.60 | Joback Calculated Property |
| Cp,gas | 331.27 | J/mol×K | 550.47 | Joback Calculated Property |
| Cp,gas | 345.33 | J/mol×K | 584.33 | Joback Calculated Property |
| Cp,gas | 358.64 | J/mol×K | 618.20 | Joback Calculated Property |
| Cp,gas | 371.23 | J/mol×K | 652.06 | Joback Calculated Property |
| Cp,gas | 383.12 | J/mol×K | 685.93 | Joback Calculated Property |
| η | [0.0002096; 0.0025675] | Pa×s | [252.67; 482.74] |
|
| η | 0.0025675 | Pa×s | 252.67 | Joback Calculated Property |
| η | 0.0012843 | Pa×s | 291.01 | Joback Calculated Property |
| η | 0.0007549 | Pa×s | 329.36 | Joback Calculated Property |
| η | 0.0004957 | Pa×s | 367.71 | Joback Calculated Property |
| η | 0.0003524 | Pa×s | 406.05 | Joback Calculated Property |
| η | 0.0002657 | Pa×s | 444.39 | Joback Calculated Property |
| η | 0.0002096 | Pa×s | 482.74 | Joback Calculated Property |
Pressure Dependent Properties
| Property | Value | Unit | Pressure (kPa) | Source |
|---|---|---|---|---|
| Tboilr | 470.20 | K | 101.00 | NIST |
Similar Compounds
Find more compounds similar to Benzene, 1-butyl-3-methyl-.
Sources
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