- 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° | 62.69 | 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 | 723.89 | K | Relay (1.0) Calculated Property |
| Tfus | 226.65 | K | Relay (1.0) Calculated Property |
| Vc | 0.678 | m3/kmol | Relay (1.0) Calculated Property |
Correlations
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [244.90; 623.62] | 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 | -4.54250e+01 | |||
| Coefficient B | 1.26084e+00 | |||
| Coefficient C | -7.72200e-04 | |||
| Coefficient D | 1.80400e-07 | |||
| Coefficient E | 0.00000e+00 | |||
| Temperature range, min. | 273.00 | |||
| Temperature range, max. | 1000.00 | |||
| Cp,gas | 244.90 | J/mol×K | 273.00 | Calculated Property |
| Cp,gas | 311.97 | J/mol×K | 353.78 | Calculated Property |
| Cp,gas | 371.46 | J/mol×K | 434.56 | Calculated Property |
| Cp,gas | 423.94 | J/mol×K | 515.33 | Calculated Property |
| Cp,gas | 469.99 | J/mol×K | 596.11 | Calculated Property |
| Cp,gas | 510.17 | J/mol×K | 676.89 | Calculated Property |
| Cp,gas | 545.05 | J/mol×K | 757.67 | Calculated Property |
| Cp,gas | 575.20 | J/mol×K | 838.44 | Calculated Property |
| Cp,gas | 601.20 | J/mol×K | 919.22 | Calculated Property |
| Cp,gas | 623.61 | J/mol×K | 1000.00 | Calculated Property |
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| η | [0.0053384; 0.0001966] | Pa×s | [258.96; 521.00] |
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 | -1.17972e+01 | |||
| Coefficient B | 1.69992e+03 | |||
| Coefficient C | 0.00000e+00 | |||
| Coefficient D | 0.00000e+00 | |||
| Coefficient E | 0.00000e+00 | |||
| Comment | Liquid phase. Joback/Reid (1987), valid from Tf to 0.7·Tc. | |||
| Temperature range, min. | 258.96 | |||
| Temperature range, max. | 521.00 | |||
| η | 0.0053384 | Pa×s | 258.96 | Calculated Property |
| η | 0.0027496 | Pa×s | 288.08 | Calculated Property |
| η | 0.0015997 | Pa×s | 317.19 | Calculated Property |
| η | 0.0010194 | Pa×s | 346.31 | Calculated Property |
| η | 0.0006967 | Pa×s | 375.42 | Calculated Property |
| η | 0.0005029 | Pa×s | 404.54 | Calculated Property |
| η | 0.0003793 | Pa×s | 433.65 | Calculated Property |
| η | 0.0002964 | Pa×s | 462.77 | Calculated Property |
| η | 0.0002385 | Pa×s | 491.88 | Calculated Property |
| η | 0.0001966 | Pa×s | 521.00 | Calculated Property |
Similar Compounds
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