- InChI
- InChI=1S/C14H22/c1-5-11-9-10-12(6-2)14(8-4)13(11)7-3/h9-10H,5-8H2,1-4H3
- InChI Key
- FEWANSQOXSIFOK-UHFFFAOYSA-N
- Formula
- C14H22
- SMILES
- CCc1ccc(CC)c(CC)c1CC
- Molecular Weight1
- 190.33
- CAS
- 642-32-0
- 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).
- Pvap : Vapor pressure (kPa).
- Tboil : Normal Boiling Point Temperature (K).
- Tc : Critical Temperature (K).
- Tfus : Normal melting (fusion) point (K).
- Vc : Critical Volume (m3/kmol).
- Zc : Critical Compressibility.
- 1: Molecular weight from the IUPAC atomic weights tables.
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Physical Properties
| Property | Value | Unit | Source |
|---|---|---|---|
| ω | 0.5620 | KDB | |
| ΔfG° | 150.52 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -105.40 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 24.89 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 69.49 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 8.10 | eV | Relay (1.0) Calculated Property |
| log10WS | -5.31 | Relay (1.0) Calculated Property | |
| logPoct/wat | 3.936 | Crippen Calculated Property | |
| McVol | 184.360 | ml/mol | McGowan Calculated Property |
| Pc | 1930.00 | kPa | KDB |
| Tboil | 524.20 | K | KDB |
| Tc | 708.20 | K | KDB |
| Tfus | 285.00 | K | KDB |
| Vc | 0.712 | m3/kmol | KDB |
| Zc | 0.2332060 | KDB |
Correlations
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [252.87; 613.95] | 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 | -8.46000e-01 | |||
| Coefficient B | 1.07648e+00 | |||
| Coefficient C | -5.67880e-04 | |||
| Coefficient D | 1.06200e-07 | |||
| Coefficient E | 0.00000e+00 | |||
| Temperature range, min. | 273.00 | |||
| Temperature range, max. | 1000.00 | |||
| Cp,gas | 252.87 | J/mol×K | 273.00 | Calculated Property |
| Cp,gas | 313.62 | J/mol×K | 353.78 | Calculated Property |
| Cp,gas | 368.42 | J/mol×K | 434.56 | Calculated Property |
| Cp,gas | 417.62 | J/mol×K | 515.33 | Calculated Property |
| Cp,gas | 461.56 | J/mol×K | 596.11 | Calculated Property |
| Cp,gas | 500.56 | J/mol×K | 676.89 | Calculated Property |
| Cp,gas | 534.96 | J/mol×K | 757.67 | Calculated Property |
| Cp,gas | 565.11 | J/mol×K | 838.44 | Calculated Property |
| Cp,gas | 591.32 | J/mol×K | 919.22 | Calculated Property |
| Cp,gas | 613.95 | J/mol×K | 1000.00 | Calculated Property |
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| η | [0.0022679; 0.0002391] | Pa×s | [285.00; 495.74] |
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 | -1.13812e+01 | |||
| Coefficient B | 1.50832e+03 | |||
| Coefficient C | 0.00000e+00 | |||
| Coefficient D | 0.00000e+00 | |||
| Coefficient E | 0.00000e+00 | |||
| Temperature range, min. | 285.00 | |||
| Temperature range, max. | 495.74 | |||
| η | 0.0022679 | Pa×s | 285.00 | Calculated Property |
| η | 0.0015175 | Pa×s | 308.42 | Calculated Property |
| η | 0.0010746 | Pa×s | 331.83 | Calculated Property |
| η | 0.0007964 | Pa×s | 355.25 | Calculated Property |
| η | 0.0006125 | Pa×s | 378.66 | Calculated Property |
| η | 0.0004857 | Pa×s | 402.08 | Calculated Property |
| η | 0.0003951 | Pa×s | 425.49 | Calculated Property |
| η | 0.0003284 | Pa×s | 448.91 | Calculated Property |
| η | 0.0002780 | Pa×s | 472.32 | Calculated Property |
| η | 0.0002391 | Pa×s | 495.74 | Calculated Property |
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Pvap | [1.33; 202.64] | kPa | [384.72; 570.81] |
The Yaws Handbook of Vapor Pressure
|
| Equation | ln(Y) = A + B/(T + C) Y is Pvap in kPa, T in K | |||
| Coefficient A | 1.46051e+01 | |||
| Coefficient B | -4.92868e+03 | |||
| Coefficient C | -4.04820e+01 | |||
| Temperature range, min. | 384.72 | |||
| Temperature range, max. | 570.81 | |||
| Pvap | 1.33 | kPa | 384.72 | Calculated Property |
| Pvap | 3.00 | kPa | 405.40 | Calculated Property |
| Pvap | 6.19 | kPa | 426.07 | Calculated Property |
| Pvap | 11.86 | kPa | 446.75 | Calculated Property |
| Pvap | 21.35 | kPa | 467.43 | Calculated Property |
| Pvap | 36.39 | kPa | 488.10 | Calculated Property |
| Pvap | 59.17 | kPa | 508.78 | Calculated Property |
| Pvap | 92.34 | kPa | 529.46 | Calculated Property |
| Pvap | 138.99 | kPa | 550.13 | Calculated Property |
| Pvap | 202.64 | kPa | 570.81 | Calculated Property |
Similar Compounds
Find more compounds similar to 1,2,3,4-tetraethylbenzene.
Sources
- Cheméo Relay (1.0)
- Crippen Method
- Crippen Method
- Joback Method
- KDB
- McGowan Method
- The Yaws Handbook of Vapor Pressure
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