- InChI
- InChI=1S/C16H26/c1-6-12-11-13(7-2)15(9-4)16(10-5)14(12)8-3/h11H,6-10H2,1-5H3
- InChI Key
- JREJWHNDQOGSQT-UHFFFAOYSA-N
- Formula
- C16H26
- SMILES
- CCc1cc(CC)c(CC)c(CC)c1CC
- Molecular Weight1
- 218.38
- CAS
- 605-01-6
- Other Names
-
- 1-PENTAETHYLBENZENE
- Benzene, pentaethyl-
- 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).
- ΔvapH : Enthalpy of vaporization at a given temperature (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).
- 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 | 0.6178 | Relay (1.0) Calculated Property | |
| ΔfG° | 157.73 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -138.95 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 29.68 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 75.64 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 7.87 | eV | Relay (1.0) Calculated Property |
| log10WS | -5.85 | Relay (1.0) Calculated Property | |
| logPoct/wat | 4.499 | Crippen Calculated Property | |
| McVol | 212.540 | ml/mol | McGowan Calculated Property |
| Pc | 1621.98 | kPa | Joback Calculated Property |
| Inp | 1538.00 | NIST | |
| Tboil | 540.35 | K | Relay (1.0) Calculated Property |
| Tc | 731.41 | K | Relay (1.0) Calculated Property |
| Tfus | 312.91 | K | Relay (1.0) Calculated Property |
| Vc | 0.804 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [546.12; 643.08] | J/mol×K | [612.08; 805.10] | 
|
| Cp,gas | 546.12 | J/mol×K | 612.08 | Joback Calculated Property |
| Cp,gas | 564.31 | J/mol×K | 644.25 | Joback Calculated Property |
| Cp,gas | 581.66 | J/mol×K | 676.42 | Joback Calculated Property |
| Cp,gas | 598.19 | J/mol×K | 708.59 | Joback Calculated Property |
| Cp,gas | 613.93 | J/mol×K | 740.76 | Joback Calculated Property |
| Cp,gas | 628.88 | J/mol×K | 772.93 | Joback Calculated Property |
| Cp,gas | 643.08 | J/mol×K | 805.10 | Joback Calculated Property |
| η | [0.0001420; 0.0011135] | Pa×s | [346.58; 612.08] |
|
| η | 0.0011135 | Pa×s | 346.58 | Joback Calculated Property |
| η | 0.0006505 | Pa×s | 390.83 | Joback Calculated Property |
| η | 0.0004239 | Pa×s | 435.08 | Joback Calculated Property |
| η | 0.0002990 | Pa×s | 479.33 | Joback Calculated Property |
| η | 0.0002237 | Pa×s | 523.58 | Joback Calculated Property |
| η | 0.0001751 | Pa×s | 567.83 | Joback Calculated Property |
| η | 0.0001420 | Pa×s | 612.08 | Joback Calculated Property |
| ΔvapH | 56.50 | kJ/mol | 454.50 | NIST |
Correlations
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Pvap | [0.13; 1568.81] | kPa | [359.15; 723.64] |
KDB Vapor Pressure Data
|
| Equation | ln(Pvp) = A + B/T + C*ln(T) + D*T^2 | |||
| Coefficient A | -5.97616e+00 | |||
| Coefficient B | -5.95488e+03 | |||
| Coefficient C | 3.56766e+00 | |||
| Coefficient D | -3.68029e-06 | |||
| Temperature range, min. | 359.15 | |||
| Temperature range, max. | 723.64 | |||
| Pvap | 0.13 | kPa | 359.15 | Calculated Property |
| Pvap | 0.91 | kPa | 399.65 | Calculated Property |
| Pvap | 4.47 | kPa | 440.15 | Calculated Property |
| Pvap | 16.69 | kPa | 480.65 | Calculated Property |
| Pvap | 50.26 | kPa | 521.15 | Calculated Property |
| Pvap | 127.32 | kPa | 561.64 | Calculated Property |
| Pvap | 279.99 | kPa | 602.14 | Calculated Property |
| Pvap | 547.12 | kPa | 642.64 | Calculated Property |
| Pvap | 967.23 | kPa | 683.14 | Calculated Property |
| Pvap | 1568.81 | kPa | 723.64 | Calculated Property |
Similar Compounds
Find more compounds similar to Pentaethylbenzene.
Sources
- KDB Vapor Pressure Data
- Cheméo Relay (1.0)
- Crippen Method
- Crippen Method
- Joback Method
- KDB
- McGowan Method
- NIST Webbook
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