- InChI
- InChI=1S/C11H16/c1-4-10(3)11-7-5-9(2)6-8-11/h5-8,10H,4H2,1-3H3
- InChI Key
- LWCFXYMSEGQWNB-UHFFFAOYSA-N
- Formula
- C11H16
- SMILES
- CCC(C)c1ccc(C)cc1
- Molecular Weight1
- 148.24
- CAS
- 1595-16-0
- Other Names
-
- 1-Methyl-4-(1-methylpropyl)-benzene
- 1-Methyl-4-sec-butylbenzene
- 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° | 142.08 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -50.59 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 14.37 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 42.63 | kJ/mol | Joback Calculated Property |
| log10WS | -3.55 | Crippen Calculated Property | |
| logPoct/wat | 3.509 | Crippen Calculated Property | |
| McVol | 142.090 | ml/mol | McGowan Calculated Property |
| Pc | 2629.85 | kPa | Joback Calculated Property |
| Inp | [1088.70; 1100.00] |
|
|
| Inp | 1100.00 | NIST | |
| Inp | 1088.70 | NIST | |
| Inp | 1091.00 | NIST | |
| Inp | 1088.70 | NIST | |
| Inp | 1091.00 | NIST | |
| Inp | 1100.00 | NIST | |
| Inp | 1100.00 | NIST | |
| Inp | 1100.00 | NIST | |
| I | [1315.00; 1315.40] |
|
|
| I | 1315.40 | NIST | |
| I | 1315.00 | NIST | |
| I | 1315.00 | NIST | |
| I | 1315.40 | NIST | |
| I | 1315.00 | NIST | |
| Tboil | [467.00; 476.00] | K |
|
| Tboil | 467.00 ± 5.00 | K | NIST |
| Tboil | 475.00 ± 4.00 | K | NIST |
| Tboil | 469.00 ± 5.00 | K | NIST |
| Tboil | 476.00 ± 5.00 | K | NIST |
| Tboil | 470.00 ± 5.00 | K | NIST |
| Tc | 690.17 | K | Joback Calculated Property |
| Tfus | 237.67 | K | Joback Calculated Property |
| Vc | 0.537 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [300.93; 385.28] | J/mol×K | [482.30; 690.17] |
|
| Cp,gas | 300.93 | J/mol×K | 482.30 | Joback Calculated Property |
| Cp,gas | 317.03 | J/mol×K | 516.94 | Joback Calculated Property |
| Cp,gas | 332.27 | J/mol×K | 551.59 | Joback Calculated Property |
| Cp,gas | 346.68 | J/mol×K | 586.23 | Joback Calculated Property |
| Cp,gas | 360.30 | J/mol×K | 620.88 | Joback Calculated Property |
| Cp,gas | 373.16 | J/mol×K | 655.52 | Joback Calculated Property |
| Cp,gas | 385.28 | J/mol×K | 690.17 | Joback Calculated Property |
| η | [0.0001987; 0.0036688] | Pa×s | [237.67; 482.30] |
|
| η | 0.0036688 | Pa×s | 237.67 | Joback Calculated Property |
| η | 0.0015812 | Pa×s | 278.44 | Joback Calculated Property |
| η | 0.0008449 | Pa×s | 319.21 | Joback Calculated Property |
| η | 0.0005204 | Pa×s | 359.99 | Joback Calculated Property |
| η | 0.0003537 | Pa×s | 400.76 | Joback Calculated Property |
| η | 0.0002582 | Pa×s | 441.53 | Joback Calculated Property |
| η | 0.0001987 | Pa×s | 482.30 | Joback Calculated Property |
Correlations
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Pvap | [1.33; 202.63] | kPa | [346.79; 500.95] |
The Yaw...
|
| Equation | ln(Pvp) = A + B/(T + C) | |||
| Coefficient A | 1.42798e+01 | |||
| Coefficient B | -3.85077e+03 | |||
| Coefficient C | -7.15800e+01 | |||
| Temperature range, min. | 346.79 | |||
| Temperature range, max. | 500.95 | |||
| Pvap | 1.33 | kPa | 346.79 | Calculated Property |
| Pvap | 3.03 | kPa | 363.92 | Calculated Property |
| Pvap | 6.28 | kPa | 381.05 | Calculated Property |
| Pvap | 12.05 | kPa | 398.18 | Calculated Property |
| Pvap | 21.69 | kPa | 415.31 | Calculated Property |
| Pvap | 36.91 | kPa | 432.43 | Calculated Property |
| Pvap | 59.87 | kPa | 449.56 | Calculated Property |
| Pvap | 93.11 | kPa | 466.69 | Calculated Property |
| Pvap | 139.59 | kPa | 483.82 | Calculated Property |
| Pvap | 202.63 | kPa | 500.95 | Calculated Property |
Similar Compounds
Find more compounds similar to Benzene, 1-methyl-4-(1-methylpropyl)-.
Sources
- Crippen Method
- Crippen Method
- Joback Method
- McGowan Method
- NIST Webbook
- The Yaws Handbook of Vapor Pressure
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