- InChI
- InChI=1S/C14H22/c1-5-11(3)13-8-7-9-14(10-13)12(4)6-2/h7-12H,5-6H2,1-4H3
- InChI Key
- SGJNVYYELDBNLA-UHFFFAOYSA-N
- Formula
- C14H22
- SMILES
- CCC(C)c1cccc(C(C)CC)c1
- Molecular Weight1
- 190.32
- CAS
- 1079-96-5
- Other Names
-
- Benzene, m-di-sec-butyl-
- ω : Acentric Factor.
- Cp,gas : Ideal gas heat capacity (J/mol×K).
- η : Dynamic viscosity (Pa×s).
- 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).
- logPoct/wat : Octanol/Water partition coefficient.
- McVol : McGowan's characteristic volume (ml/mol).
- Pc : Critical Pressure (kPa).
- 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 |
|---|---|---|---|
| ω | 0.4539 | Relay (1.0) Calculated Property | |
| ΔfH°gas | -145.93 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 18.62 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 61.88 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 8.21 | eV | Relay (1.0) Calculated Property |
| logPoct/wat | 4.714 | Crippen Calculated Property | |
| McVol | 184.360 | ml/mol | McGowan Calculated Property |
| Pc | 2010.90 | kPa | Joback Calculated Property |
| I | [1468.00; 1513.00] |
|
|
| I | 1477.00 | NIST | |
| I | 1478.00 | NIST | |
| I | 1487.00 | NIST | |
| I | 1500.00 | NIST | |
| I | 1513.00 | NIST | |
| I | 1468.00 | NIST | |
| I | 1477.00 | NIST | |
| I | 1468.00 | NIST | |
| Tboil | 516.81 | K | Relay (1.0) Calculated Property |
| Tc | 721.51 | K | Relay (1.0) Calculated Property |
| Tfus | 241.47 | K | Relay (1.0) Calculated Property |
| Vc | 0.678 | m3/kmol | Relay (1.0) Calculated Property |
Cheméo can also estimate Standard Gibbs free energy of formation, Log10 of Water solubility in mol/l for this compound, but they fall outside the models' validated range, so they are not shown here. Open the prediction tool to compute them on demand.
Correlations
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [247.14; 621.11] | 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 | -3.28080e+01 | |||
| Coefficient B | 1.20728e+00 | |||
| Coefficient C | -7.08360e-04 | |||
| Coefficient D | 1.55000e-07 | |||
| Coefficient E | 0.00000e+00 | |||
| Temperature range, min. | 273.00 | |||
| Temperature range, max. | 1000.00 | |||
| Cp,gas | 247.14 | J/mol×K | 273.00 | Calculated Property |
| Cp,gas | 312.51 | J/mol×K | 353.78 | Calculated Property |
| Cp,gas | 370.78 | J/mol×K | 434.56 | Calculated Property |
| Cp,gas | 422.44 | J/mol×K | 515.33 | Calculated Property |
| Cp,gas | 467.98 | J/mol×K | 596.11 | Calculated Property |
| Cp,gas | 507.90 | J/mol×K | 676.89 | Calculated Property |
| Cp,gas | 542.68 | J/mol×K | 757.67 | Calculated Property |
| Cp,gas | 572.82 | J/mol×K | 838.44 | Calculated Property |
| Cp,gas | 598.80 | J/mol×K | 919.22 | Calculated Property |
| Cp,gas | 621.11 | J/mol×K | 1000.00 | Calculated Property |
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| η | [0.0051862; 0.0001765] | Pa×s | [256.48; 527.84] |
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 | -1.18372e+01 | |||
| Coefficient B | 1.68648e+03 | |||
| Coefficient C | 0.00000e+00 | |||
| Coefficient D | 0.00000e+00 | |||
| Coefficient E | 0.00000e+00 | |||
| Temperature range, min. | 256.48 | |||
| Temperature range, max. | 527.84 | |||
| η | 0.0051862 | Pa×s | 256.48 | Calculated Property |
| η | 0.0025969 | Pa×s | 286.63 | Calculated Property |
| η | 0.0014833 | Pa×s | 316.78 | Calculated Property |
| η | 0.0009339 | Pa×s | 346.93 | Calculated Property |
| η | 0.0006331 | Pa×s | 377.09 | Calculated Property |
| η | 0.0004547 | Pa×s | 407.24 | Calculated Property |
| η | 0.0003417 | Pa×s | 437.39 | Calculated Property |
| η | 0.0002665 | Pa×s | 467.54 | Calculated Property |
| η | 0.0002142 | Pa×s | 497.69 | Calculated Property |
| η | 0.0001765 | Pa×s | 527.84 | Calculated Property |
Similar Compounds
Find more compounds similar to Benzene, 1,3-bis(1-methylpropyl)-.
Sources
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