- InChI
- InChI=1S/C14H22/c1-3-5-6-8-14-11-9-13(7-4-2)10-12-14/h9-12H,3-8H2,1-2H3
- InChI Key
- WNOYYEDJPZVPRV-UHFFFAOYSA-N
- Formula
- C14H22
- SMILES
- CCCCCc1ccc(CCC)cc1
- Molecular Weight1
- 190.32
- 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 | 0.5813 | Relay (1.0) Calculated Property | |
| ΔfG° | 169.78 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -99.37 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 25.67 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 68.70 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 8.53 | eV | Relay (1.0) Calculated Property |
| log10WS | -5.77 | Relay (1.0) Calculated Property | |
| logPoct/wat | 4.372 | Crippen Calculated Property | |
| McVol | 184.360 | ml/mol | McGowan Calculated Property |
| Pc | 1982.35 | kPa | Joback Calculated Property |
| Inp | 1419.00 | NIST | |
| I | [1628.00; 1636.30] |
|
|
| I | 1636.30 | NIST | |
| I | 1628.00 | NIST | |
| I | 1628.00 | NIST | |
| I | 1628.00 | NIST | |
| Tboil | 533.01 | K | Relay (1.0) Calculated Property |
| Tc | 725.83 | K | Relay (1.0) Calculated Property |
| Tfus | 229.51 | K | Relay (1.0) Calculated Property |
| Vc | 0.721 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [442.55; 536.75] | J/mol×K | [551.58; 746.70] |
|
| Cp,gas | 442.55 | J/mol×K | 551.58 | Joback Calculated Property |
| Cp,gas | 460.41 | J/mol×K | 584.10 | Joback Calculated Property |
| Cp,gas | 477.36 | J/mol×K | 616.62 | Joback Calculated Property |
| Cp,gas | 493.44 | J/mol×K | 649.14 | Joback Calculated Property |
| Cp,gas | 508.68 | J/mol×K | 681.66 | Joback Calculated Property |
| Cp,gas | 523.11 | J/mol×K | 714.18 | Joback Calculated Property |
| Cp,gas | 536.75 | J/mol×K | 746.70 | Joback Calculated Property |
| η | [0.0001753; 0.0026153] | Pa×s | [286.48; 551.58] |
|
| η | 0.0026153 | Pa×s | 286.48 | Joback Calculated Property |
| η | 0.0012337 | Pa×s | 330.66 | Joback Calculated Property |
| η | 0.0006948 | Pa×s | 374.85 | Joback Calculated Property |
| η | 0.0004416 | Pa×s | 419.03 | Joback Calculated Property |
| η | 0.0003061 | Pa×s | 463.21 | Joback Calculated Property |
| η | 0.0002261 | Pa×s | 507.40 | Joback Calculated Property |
| η | 0.0001753 | Pa×s | 551.58 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Benzene, 1-pentyl-4-propyl.
Sources
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