- InChI
- InChI=1S/C15H16/c1-12(2)14-9-6-10-15(11-14)13-7-4-3-5-8-13/h3-12H,1-2H3
- InChI Key
- LIWRTHVZRZXVFX-UHFFFAOYSA-N
- Formula
- C15H16
- SMILES
- CC(C)c1cccc(-c2ccccc2)c1
- Molecular Weight1
- 196.29
- Other Names
-
- 3-(1-Methylethyl)-1,1'-biphenyl
- 3-isopropylbiphenyl
- biphenyl, 3-isopropyl-
- m-isopropylbiphenyl
- ω : Acentric Factor.
- 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).
- 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 | 0.4180 | Relay (1.0) Calculated Property | |
| ΔfG° | 288.17 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | 108.76 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 18.78 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 77.02 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 8.17 | eV | Relay (1.0) Calculated Property |
| log10WS | -5.70 | Relay (1.0) Calculated Property | |
| logPoct/wat | 4.477 | Crippen Calculated Property | |
| McVol | 174.690 | ml/mol | McGowan Calculated Property |
| Pc | 2492.52 | kPa | Joback Calculated Property |
| Inp | [277.70; 1671.00] |
|
|
| Inp | 1666.00 | NIST | |
| Inp | 1660.00 | NIST | |
| Inp | 1671.00 | NIST | |
| Inp | 277.70 | NIST | |
| I | [2204.00; 2244.00] |
|
|
| I | 2244.00 | NIST | |
| I | 2204.00 | NIST | |
| I | 2244.00 | NIST | |
| Tboil | 566.54 | K | Vapour pressures and enthalpies of vaporization of a series of the alkylbiphenyls |
| Tc | 790.77 | K | Relay (1.0) Calculated Property |
| Tfus | 275.09 | K | Relay (1.0) Calculated Property |
| Vc | 0.645 | m3/kmol | Relay (1.0) Calculated Property |
Correlations
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [211.41; 553.64] | 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 | -6.59400e+01 | |||
| Coefficient B | 1.21744e+00 | |||
| Coefficient C | -7.90760e-04 | |||
| Coefficient D | 1.92900e-07 | |||
| Coefficient E | 0.00000e+00 | |||
| Temperature range, min. | 273.00 | |||
| Temperature range, max. | 1000.00 | |||
| Cp,gas | 211.41 | J/mol×K | 273.00 | Calculated Property |
| Cp,gas | 274.33 | J/mol×K | 353.78 | Calculated Property |
| Cp,gas | 329.61 | J/mol×K | 434.56 | Calculated Property |
| Cp,gas | 377.85 | J/mol×K | 515.33 | Calculated Property |
| Cp,gas | 419.66 | J/mol×K | 596.11 | Calculated Property |
| Cp,gas | 455.65 | J/mol×K | 676.89 | Calculated Property |
| Cp,gas | 486.43 | J/mol×K | 757.67 | Calculated Property |
| Cp,gas | 512.62 | J/mol×K | 838.44 | Calculated Property |
| Cp,gas | 534.82 | J/mol×K | 919.22 | Calculated Property |
| Cp,gas | 553.64 | J/mol×K | 1000.00 | Calculated Property |
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| η | [0.0024536; 0.0001599] | Pa×s | [309.17; 589.22] |
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 | -1.17554e+01 | |||
| Coefficient B | 1.77624e+03 | |||
| Coefficient C | 0.00000e+00 | |||
| Coefficient D | 0.00000e+00 | |||
| Coefficient E | 0.00000e+00 | |||
| Comment | Liquid phase. Joback/Reid (1987), valid from Tf to 0.7·Tc. | |||
| Temperature range, min. | 309.17 | |||
| Temperature range, max. | 589.22 | |||
| η | 0.0024536 | Pa×s | 309.17 | Calculated Property |
| η | 0.0014509 | Pa×s | 340.29 | Calculated Property |
| η | 0.0009369 | Pa×s | 371.40 | Calculated Property |
| η | 0.0006474 | Pa×s | 402.52 | Calculated Property |
| η | 0.0004717 | Pa×s | 433.64 | Calculated Property |
| η | 0.0003585 | Pa×s | 464.75 | Calculated Property |
| η | 0.0002821 | Pa×s | 495.87 | Calculated Property |
| η | 0.0002283 | Pa×s | 526.99 | Calculated Property |
| η | 0.0001892 | Pa×s | 558.10 | Calculated Property |
| η | 0.0001599 | Pa×s | 589.22 | Calculated Property |
Similar Compounds
Find more compounds similar to 1,1'-Biphenyl, 3-(1-methylethyl)-.
Sources
- Cheméo Relay (1.0)
- Crippen Method
- Crippen Method
- Vapour pressures and enthalpies of vaporization of a series of the alkylbiphenyls
- Joback Method
- McGowan Method
- NIST Webbook
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