- InChI
- InChI=1S/C21H36/c1-2-3-4-5-6-7-8-9-10-11-12-13-15-18-21-19-16-14-17-20-21/h14,16-17,19-20H,2-13,15,18H2,1H3
- InChI Key
- JIRNEODMTPGRGV-UHFFFAOYSA-N
- Formula
- C21H36
- SMILES
- CCCCCCCCCCCCCCCc1ccccc1
- Molecular Weight1
- 288.52
- CAS
- 2131-18-2
- Other Names
-
- 1-phenylpentadecane
- benzene, pentadecyl-
- n-pentadecylbenzene
- pentadecane, 1-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).
- Pvap : Vapor pressure (kPa).
- Tboil : Normal Boiling Point Temperature (K).
- Tc : Critical Temperature (K).
- Tfus : Normal melting (fusion) point (K).
- Tfus : Melting 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 | 0.8501 | Relay (1.0) Calculated Property | |
| ΔfG° | 238.35 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -225.81 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 44.19 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 102.27 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 9.07 | eV | Relay (1.0) Calculated Property |
| log10WS | -8.01 | Relay (1.0) Calculated Property | |
| logPoct/wat | 7.320 | Crippen Calculated Property | |
| McVol | 282.990 | ml/mol | McGowan Calculated Property |
| Pc | 1186.60 | kPa | Joback Calculated Property |
| Tboil | 613.18 | K | Relay (1.0) Calculated Property |
| Tc | 794.96 | K | Relay (1.0) Calculated Property |
| Tfus | 288.98 | K | Relay (1.0) Calculated Property |
| Vc | 1.114 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [825.61; 933.63] | J/mol×K | [706.56; 889.03] | 
|
| Cp,gas | 825.61 | J/mol×K | 706.56 | Joback Calculated Property |
| Cp,gas | 846.08 | J/mol×K | 736.97 | Joback Calculated Property |
| Cp,gas | 865.51 | J/mol×K | 767.38 | Joback Calculated Property |
| Cp,gas | 883.93 | J/mol×K | 797.79 | Joback Calculated Property |
| Cp,gas | 901.40 | J/mol×K | 828.21 | Joback Calculated Property |
| Cp,gas | 917.95 | J/mol×K | 858.62 | Joback Calculated Property |
| Cp,gas | 933.63 | J/mol×K | 889.03 | Joback Calculated Property |
| η | [0.0000865; 0.0023303] | Pa×s | [352.85; 706.56] |
|
| η | 0.0023303 | Pa×s | 352.85 | Joback Calculated Property |
| η | 0.0009087 | Pa×s | 411.80 | Joback Calculated Property |
| η | 0.0004486 | Pa×s | 470.75 | Joback Calculated Property |
| η | 0.0002591 | Pa×s | 529.70 | Joback Calculated Property |
| η | 0.0001671 | Pa×s | 588.66 | Joback Calculated Property |
| η | 0.0001167 | Pa×s | 647.61 | Joback Calculated Property |
| η | 0.0000865 | Pa×s | 706.56 | Joback Calculated Property |
Pressure Dependent Properties
| Property | Value | Unit | Pressure (kPa) | Source |
|---|---|---|---|---|
| Tfus | [285.10; 306.70] | K | [100.00; 100200.00] |
|
| Tfus | 285.10 | K | 100.00 | Solid-Liquid Equilibria under High Pressure of Nine Pure n-Alkylbenzenes |
| Tfus | 289.70 | K | 21000.00 | Solid-Liquid Equilibria under High Pressure of Nine Pure n-Alkylbenzenes |
| Tfus | 294.10 | K | 40100.00 | Solid-Liquid Equilibria under High Pressure of Nine Pure n-Alkylbenzenes |
| Tfus | 298.40 | K | 59900.00 | Solid-Liquid Equilibria under High Pressure of Nine Pure n-Alkylbenzenes |
| Tfus | 302.80 | K | 80400.00 | Solid-Liquid Equilibria under High Pressure of Nine Pure n-Alkylbenzenes |
| Tfus | 306.70 | K | 100200.00 | Solid-Liquid Equilibria under High Pressure of Nine Pure n-Alkylbenzenes |
Correlations
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Pvap | [1.33; 202.65] | kPa | [489.31; 674.16] |
The Yaws Handbook of Vapor Pressure
|
| Equation | ln(Pvp) = A + B/(T + C) | |||
| Coefficient A | 1.59172e+01 | |||
| Coefficient B | -6.09906e+03 | |||
| Coefficient C | -9.90840e+01 | |||
| Temperature range, min. | 489.31 | |||
| Temperature range, max. | 674.16 | |||
| Pvap | 1.33 | kPa | 489.31 | Calculated Property |
| Pvap | 2.91 | kPa | 509.85 | Calculated Property |
| Pvap | 5.91 | kPa | 530.39 | Calculated Property |
| Pvap | 11.23 | kPa | 550.93 | Calculated Property |
| Pvap | 20.20 | kPa | 571.47 | Calculated Property |
| Pvap | 34.60 | kPa | 592.00 | Calculated Property |
| Pvap | 56.76 | kPa | 612.54 | Calculated Property |
| Pvap | 89.63 | kPa | 633.08 | Calculated Property |
| Pvap | 136.82 | kPa | 653.62 | Calculated Property |
| Pvap | 202.65 | kPa | 674.16 | Calculated Property |
Similar Compounds
Find more compounds similar to Pentadecylbenzene.
Sources
- Cheméo Relay (1.0)
- Crippen Method
- Crippen Method
- Solid-Liquid Equilibria under High Pressure of Nine Pure n-Alkylbenzenes
- Joback Method
- McGowan Method
- NIST Webbook
- The Yaws Handbook of Vapor Pressure
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