- InChI
- InChI=1S/C13H20/c1-4-13(5-2,6-3)12-10-8-7-9-11-12/h7-11H,4-6H2,1-3H3
- InChI Key
- WLVNEALRNQEPMS-UHFFFAOYSA-N
- Formula
- C13H20
- SMILES
- CCC(CC)(CC)c1ccccc1
- Molecular Weight1
- 176.30
- CAS
- 4170-84-7
- Other Names
-
- (1,1-Diethylpropyl)benzene
- 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.
- 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 | 0.3882 | Relay (1.0) Calculated Property | |
| ΔfG° | 173.83 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -49.13 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 16.05 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 58.79 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 8.42 | eV | Relay (1.0) Calculated Property |
| log10WS | -4.71 | Relay (1.0) Calculated Property | |
| logPoct/wat | 4.154 | Crippen Calculated Property | |
| McVol | 170.270 | ml/mol | McGowan Calculated Property |
| Pc | 2233.41 | kPa | Joback Calculated Property |
| Inp | [1275.00; 1275.00] |
|
|
| Inp | 1275.00 | NIST | |
| Inp | 1275.00 | NIST | |
| Inp | 1275.00 | NIST | |
| Inp | 1275.00 | NIST | |
| Tboil | 503.60 | K | Relay (1.0) Calculated Property |
| Tc | 711.82 | K | Relay (1.0) Calculated Property |
| Tfus | 294.27 ± 0.50 | K | NIST |
| Vc | 0.591 | m3/kmol | Relay (1.0) Calculated Property |
Correlations
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [222.54; 572.95] | 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 | -6.73070e+01 | |||
| Coefficient B | 1.28576e+00 | |||
| Coefficient C | -8.86400e-04 | |||
| Coefficient D | 2.40900e-07 | |||
| Coefficient E | 0.00000e+00 | |||
| Temperature range, min. | 273.00 | |||
| Temperature range, max. | 1000.00 | |||
| Cp,gas | 222.54 | J/mol×K | 273.00 | Calculated Property |
| Cp,gas | 287.29 | J/mol×K | 353.78 | Calculated Property |
| Cp,gas | 343.81 | J/mol×K | 434.56 | Calculated Property |
| Cp,gas | 392.86 | J/mol×K | 515.33 | Calculated Property |
| Cp,gas | 435.20 | J/mol×K | 596.11 | Calculated Property |
| Cp,gas | 471.59 | J/mol×K | 676.89 | Calculated Property |
| Cp,gas | 502.80 | J/mol×K | 757.67 | Calculated Property |
| Cp,gas | 529.59 | J/mol×K | 838.44 | Calculated Property |
| Cp,gas | 552.72 | J/mol×K | 919.22 | Calculated Property |
| Cp,gas | 572.95 | J/mol×K | 1000.00 | Calculated Property |
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| η | [0.0026607; 0.0001968] | Pa×s | [294.27; 510.68] |
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 | -1.20748e+01 | |||
| Coefficient B | 1.80848e+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. | 294.27 | |||
| Temperature range, max. | 510.68 | |||
| η | 0.0026607 | Pa×s | 294.27 | Calculated Property |
| η | 0.0016726 | Pa×s | 318.32 | Calculated Property |
| η | 0.0011222 | Pa×s | 342.36 | Calculated Property |
| η | 0.0007935 | Pa×s | 366.41 | Calculated Property |
| η | 0.0005855 | Pa×s | 390.45 | Calculated Property |
| η | 0.0004475 | Pa×s | 414.50 | Calculated Property |
| η | 0.0003523 | Pa×s | 438.54 | Calculated Property |
| η | 0.0002843 | Pa×s | 462.59 | Calculated Property |
| η | 0.0002344 | Pa×s | 486.64 | Calculated Property |
| η | 0.0001968 | Pa×s | 510.68 | Calculated Property |
Similar Compounds
Find more compounds similar to Benzene, (1,1-diethylpropyl)-.
Sources
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