- InChI
- InChI=1S/C13H20/c1-3-5-6-7-13-10-8-12(4-2)9-11-13/h8-11H,3-7H2,1-2H3
- InChI Key
- LJFDIDJBEFXJKW-UHFFFAOYSA-N
- Formula
- C13H20
- SMILES
- CCCCCc1ccc(CC)cc1
- Molecular Weight1
- 176.30
- 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.
- Ip : 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 | 0.5285 | Relay (1.0) Calculated Property | |
| ΔfG° | 161.36 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -72.53 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 23.08 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 64.27 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 8.48 | eV | Relay (1.0) Calculated Property |
| log10WS | -5.43 | Relay (1.0) Calculated Property | |
| logPoct/wat | 3.982 | Crippen Calculated Property | |
| McVol | 170.270 | ml/mol | McGowan Calculated Property |
| Pc | 2163.33 | kPa | Joback Calculated Property |
| Inp | [1322.00; 1322.00] |
|
|
| Inp | 1322.00 | NIST | |
| Inp | 1322.00 | NIST | |
| Ip | [1555.00; 1563.30] |
|
|
| Ip | 1563.30 | NIST | |
| Ip | 1555.00 | NIST | |
| Ip | 1555.00 | NIST | |
| Tboil | 515.35 | K | Relay (1.0) Calculated Property |
| Tc | 709.58 | K | Relay (1.0) Calculated Property |
| Tfus | 216.89 | K | Relay (1.0) Calculated Property |
| Vc | 0.662 | m3/kmol | Relay (1.0) Calculated Property |
Correlations
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [226.56; 568.45] | 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 | -2.85350e+01 | |||
| Coefficient B | 1.10044e+00 | |||
| Coefficient C | -6.47560e-04 | |||
| Coefficient D | 1.44100e-07 | |||
| Coefficient E | 0.00000e+00 | |||
| Temperature range, min. | 273.00 | |||
| Temperature range, max. | 1000.00 | |||
| Cp,gas | 226.56 | J/mol×K | 273.00 | Calculated Property |
| Cp,gas | 286.11 | J/mol×K | 353.78 | Calculated Property |
| Cp,gas | 339.21 | J/mol×K | 434.56 | Calculated Property |
| Cp,gas | 386.31 | J/mol×K | 515.33 | Calculated Property |
| Cp,gas | 427.86 | J/mol×K | 596.11 | Calculated Property |
| Cp,gas | 464.33 | J/mol×K | 676.89 | Calculated Property |
| Cp,gas | 496.17 | J/mol×K | 757.67 | Calculated Property |
| Cp,gas | 523.83 | J/mol×K | 838.44 | Calculated Property |
| Cp,gas | 547.77 | J/mol×K | 919.22 | Calculated Property |
| Cp,gas | 568.44 | J/mol×K | 1000.00 | Calculated Property |
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| η | [0.0026431; 0.0002109] | Pa×s | [275.21; 508.53] |
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 | -1.14468e+01 | |||
| Coefficient B | 1.51668e+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. | 275.21 | |||
| Temperature range, max. | 508.53 | |||
| η | 0.0026431 | Pa×s | 275.21 | Calculated Property |
| η | 0.0016446 | Pa×s | 301.13 | Calculated Property |
| η | 0.0011033 | Pa×s | 327.06 | Calculated Property |
| η | 0.0007848 | Pa×s | 352.98 | Calculated Property |
| η | 0.0005849 | Pa×s | 378.91 | Calculated Property |
| η | 0.0004527 | Pa×s | 404.83 | Calculated Property |
| η | 0.0003613 | Pa×s | 430.76 | Calculated Property |
| η | 0.0002958 | Pa×s | 456.68 | Calculated Property |
| η | 0.0002475 | Pa×s | 482.61 | Calculated Property |
| η | 0.0002109 | Pa×s | 508.53 | Calculated Property |
Similar Compounds
Find more compounds similar to Benzene, 1-ethyl-4-pentyl.
Sources
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