- InChI
- InChI=1S/C17H28/c1-3-5-6-7-9-13-16(12-4-2)17-14-10-8-11-15-17/h8,10-11,14-16H,3-7,9,12-13H2,1-2H3
- InChI Key
- NSQAXMRLBNXEHK-UHFFFAOYSA-N
- Formula
- C17H28
- SMILES
- CCCCCCCC(CCC)c1ccccc1
- Molecular Weight1
- 232.40
- CAS
- 4536-86-1
- Other Names
-
- Undecane, 4-phenyl-
- 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 | 0.6233 | Relay (1.0) Calculated Property | |
| ΔfG° | 202.23 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -136.66 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 30.30 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 73.29 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 8.66 | eV | Relay (1.0) Calculated Property |
| log10WS | -6.66 | Relay (1.0) Calculated Property | |
| logPoct/wat | 5.931 | Crippen Calculated Property | |
| McVol | 226.630 | ml/mol | McGowan Calculated Property |
| Pc | 1586.01 | kPa | Joback Calculated Property |
| Inp | [280.20; 1645.00] |
|
|
| Inp | 1638.00 | NIST | |
| Inp | 1645.00 | NIST | |
| Inp | 1636.00 | NIST | |
| Inp | 1643.00 | NIST | |
| Inp | 1638.00 | NIST | |
| Inp | 280.20 | NIST | |
| Inp | 280.20 | NIST | |
| Inp | 1636.00 | NIST | |
| Inp | 1638.00 | NIST | |
| Inp | 1643.00 | NIST | |
| I | [1843.00; 1843.00] |
|
|
| I | 1843.00 | NIST | |
| I | 1843.00 | NIST | |
| Tboil | 561.74 | K | Relay (1.0) Calculated Property |
| Tc | 755.99 | K | Relay (1.0) Calculated Property |
| Tfus | 247.40 | K | Relay (1.0) Calculated Property |
| Vc | 0.844 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [598.76; 702.92] | J/mol×K | [614.60; 805.23] |
|
| Cp,gas | 598.76 | J/mol×K | 614.60 | Joback Calculated Property |
| Cp,gas | 618.59 | J/mol×K | 646.37 | Joback Calculated Property |
| Cp,gas | 637.37 | J/mol×K | 678.14 | Joback Calculated Property |
| Cp,gas | 655.16 | J/mol×K | 709.91 | Joback Calculated Property |
| Cp,gas | 671.98 | J/mol×K | 741.69 | Joback Calculated Property |
| Cp,gas | 687.89 | J/mol×K | 773.46 | Joback Calculated Property |
| Cp,gas | 702.92 | J/mol×K | 805.23 | Joback Calculated Property |
| η | [0.0001273; 0.0044125] | Pa×s | [292.77; 614.60] |
|
| η | 0.0044125 | Pa×s | 292.77 | Joback Calculated Property |
| η | 0.0015465 | Pa×s | 346.41 | Joback Calculated Property |
| η | 0.0007180 | Pa×s | 400.05 | Joback Calculated Property |
| η | 0.0003996 | Pa×s | 453.69 | Joback Calculated Property |
| η | 0.0002518 | Pa×s | 507.32 | Joback Calculated Property |
| η | 0.0001733 | Pa×s | 560.96 | Joback Calculated Property |
| η | 0.0001273 | Pa×s | 614.60 | Joback Calculated Property |
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Sources
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