- InChI
- InChI=1S/C14H22/c1-3-5-7-10-13(4-2)14-11-8-6-9-12-14/h6,8-9,11-13H,3-5,7,10H2,1-2H3
- InChI Key
- XEYWPMIXBVMRLE-UHFFFAOYSA-N
- Formula
- C14H22
- SMILES
- CCCCCC(CC)c1ccccc1
- Molecular Weight1
- 190.32
- CAS
- 18335-15-4
- Other Names
-
- Octane, 3-phenyl-
- 3-Phenyloctane
- 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 | 0.4901 | Relay (1.0) Calculated Property | |
| ΔfG° | 176.97 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -82.10 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 22.53 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 61.58 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 8.60 | eV | Relay (1.0) Calculated Property |
| log10WS | -5.51 | Relay (1.0) Calculated Property | |
| logPoct/wat | 4.761 | Crippen Calculated Property | |
| McVol | 184.360 | ml/mol | McGowan Calculated Property |
| Pc | 2023.58 | kPa | Joback Calculated Property |
| Inp | [1322.00; 1366.00] |
|
|
| Inp | 1322.00 | NIST | |
| Inp | 1352.00 | NIST | |
| Inp | 1355.00 | NIST | |
| Inp | 1358.00 | NIST | |
| Inp | 1366.00 | NIST | |
| Tboil | 518.32 | K | Relay (1.0) Calculated Property |
| Tc | 720.91 | K | Relay (1.0) Calculated Property |
| Tfus | 229.41 | K | Relay (1.0) Calculated Property |
| Vc | 0.677 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [442.13; 539.50] | J/mol×K | [545.96; 744.01] |
|
| Cp,gas | 442.13 | J/mol×K | 545.96 | Joback Calculated Property |
| Cp,gas | 460.73 | J/mol×K | 578.97 | Joback Calculated Property |
| Cp,gas | 478.33 | J/mol×K | 611.98 | Joback Calculated Property |
| Cp,gas | 494.96 | J/mol×K | 644.99 | Joback Calculated Property |
| Cp,gas | 510.68 | J/mol×K | 678.00 | Joback Calculated Property |
| Cp,gas | 525.51 | J/mol×K | 711.00 | Joback Calculated Property |
| Cp,gas | 539.50 | J/mol×K | 744.01 | Joback Calculated Property |
| η | [0.0001693; 0.0053384] | Pa×s | [258.96; 545.96] |
|
| η | 0.0053384 | Pa×s | 258.96 | Joback Calculated Property |
| η | 0.0019183 | Pa×s | 306.79 | Joback Calculated Property |
| η | 0.0009085 | Pa×s | 354.63 | Joback Calculated Property |
| η | 0.0005139 | Pa×s | 402.46 | Joback Calculated Property |
| η | 0.0003281 | Pa×s | 450.29 | Joback Calculated Property |
| η | 0.0002284 | Pa×s | 498.13 | Joback Calculated Property |
| η | 0.0001693 | Pa×s | 545.96 | Joback Calculated Property |
Similar Compounds
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Sources
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