- InChI
- InChI=1S/C16H26/c1-3-5-6-7-9-12-15(4-2)16-13-10-8-11-14-16/h8,10-11,13-15H,3-7,9,12H2,1-2H3
- InChI Key
- PYVIFMPVFLOTLN-UHFFFAOYSA-N
- Formula
- C16H26
- SMILES
- CCCCCCCC(CC)c1ccccc1
- Molecular Weight1
- 218.38
- CAS
- 4621-36-7
- Other Names
-
- Decane, 3-phenyl-
- (3-Decyl)benzene
- (1-Ethyloctyl)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.
- 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 | 0.5837 | Relay (1.0) Calculated Property | |
| ΔfG° | 193.81 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -123.09 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 27.71 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 70.58 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 8.66 | eV | Relay (1.0) Calculated Property |
| log10WS | -6.27 | Relay (1.0) Calculated Property | |
| logPoct/wat | 5.541 | Crippen Calculated Property | |
| McVol | 212.540 | ml/mol | McGowan Calculated Property |
| Pc | 1714.61 | kPa | Joback Calculated Property |
| Inp | [267.30; 1573.00] |
|
|
| Inp | 1560.00 | NIST | |
| Inp | 1573.00 | NIST | |
| Inp | 1553.00 | NIST | |
| Inp | 1553.00 | NIST | |
| Inp | 267.30 | NIST | |
| I | [1767.00; 1767.00] |
|
|
| I | 1767.00 | NIST | |
| I | 1767.00 | NIST | |
| Tboil | 549.43 | K | Relay (1.0) Calculated Property |
| Tc | 747.61 | K | Relay (1.0) Calculated Property |
| Tfus | 246.45 | K | Relay (1.0) Calculated Property |
| Vc | 0.790 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [545.09; 647.38] | J/mol×K | [591.72; 784.61] |
|
| Cp,gas | 545.09 | J/mol×K | 591.72 | Joback Calculated Property |
| Cp,gas | 564.58 | J/mol×K | 623.87 | Joback Calculated Property |
| Cp,gas | 583.04 | J/mol×K | 656.02 | Joback Calculated Property |
| Cp,gas | 600.51 | J/mol×K | 688.17 | Joback Calculated Property |
| Cp,gas | 617.03 | J/mol×K | 720.31 | Joback Calculated Property |
| Cp,gas | 632.64 | J/mol×K | 752.46 | Joback Calculated Property |
| Cp,gas | 647.38 | J/mol×K | 784.61 | Joback Calculated Property |
| η | [0.0001410; 0.0047483] | Pa×s | [281.50; 591.72] |
|
| η | 0.0047483 | Pa×s | 281.50 | Joback Calculated Property |
| η | 0.0016769 | Pa×s | 333.20 | Joback Calculated Property |
| η | 0.0007833 | Pa×s | 384.91 | Joback Calculated Property |
| η | 0.0004381 | Pa×s | 436.61 | Joback Calculated Property |
| η | 0.0002772 | Pa×s | 488.31 | Joback Calculated Property |
| η | 0.0001914 | Pa×s | 540.02 | Joback Calculated Property |
| η | 0.0001410 | Pa×s | 591.72 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Benzene, (1-ethyloctyl)-.
Sources
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