- InChI
- InChI=1S/C19H32/c1-2-3-4-5-6-7-8-9-10-11-13-16-19-17-14-12-15-18-19/h12,14-15,17-18H,2-11,13,16H2,1H3
- InChI Key
- MCVUKOYZUCWLQQ-UHFFFAOYSA-N
- Formula
- C19H32
- SMILES
- CCCCCCCCCCCCCc1ccccc1
- Molecular Weight1
- 260.46
- CAS
- 123-02-4
- Other Names
-
- 1-Phenyltridecane
- Detergent Alkylate No. 5
- Tridane
- Tridecane, 1-phenyl-
- Tridecylbenzene
- n-Tridecylbenzene
- 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).
- ΔvapH : Enthalpy of vaporization at a given temperature (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).
- Inp : Non-polar retention indices.
- Ip : Polar retention indices.
- Tboil : Normal Boiling Point Temperature (K).
- Tc : Critical Temperature (K).
- Tfus : Normal melting (fusion) point (K).
- Tfus(P) : Melting point (K).
- Vc : Critical Volume (m3/kmol).
- VCOSTALD : COSTALD Characteristic Volume (m3/kmol).
- ωSRK : SRK acentric factor.
- Zc : Critical Compressibility.
- Zra : Rackett Parameter.
- 1: Molecular weight from the IUPAC atomic weights tables.
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Physical Properties
| Property | Value | Unit | Source |
|---|---|---|---|
| ω | [0.8055; 0.8160] |
|
|
| ω | 0.8055 | PSRK revision IV (2005), critical constants and acentric factors of 1000 components Compiled value | |
| ω | 0.8160 | KDB | |
| ΔfG° | 221.51 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -183.75 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 39.01 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 94.60 | kJ/mol | NIST |
| IE | 8.99 | eV | Relay (1.0) Calculated Property |
| log10WS | -7.44 | Relay (1.0) Calculated Property | |
| logPoct/wat | 6.540 | Crippen Calculated Property | |
| McVol | 254.810 | ml/mol | McGowan Calculated Property |
| Pc | [1500.00; 1500.00] | kPa |
|
| Pc | 1500.00 | kPa | PSRK revision IV (2005), critical constants and acentric factors of 1000 components Compiled value |
| Pc | 1500.00 | kPa | KDB |
| Inp | [1971.00; 1978.00] |
|
|
| Inp | 1978.00 | NIST | |
| Inp | 1971.00 | NIST | |
| Inp | 1971.00 | NIST | |
| Ip | [2275.00; 2280.00] |
|
|
| Ip | 2280.00 | NIST | |
| Ip | 2277.00 | NIST | |
| Ip | 2275.00 | NIST | |
| Ip | 2280.00 | NIST | |
| Tboil | 614.40 | K | KDB |
| Tc | [784.00; 784.00] | K |
|
| Tc | 784.00 | K | PSRK revision IV (2005), critical constants and acentric factors of 1000 components Compiled value |
| Tc | 784.00 | K | KDB |
| Tfus | [283.00; 283.15] | K |
|
| Tfus | 283.15 | K | Jean-Claude Bradley Open Melting Point Dataset (2014, CC0) Compiled value |
| Tfus | 283.00 | K | KDB |
| Vc | [1.040; 1.040] | m3/kmol |
|
| Vc | 1.040 | m3/kmol | PSRK revision IV (2005), critical constants and acentric factors of 1000 components Compiled value |
| Vc | 1.040 | m3/kmol | KDB |
| VCOSTALD | 1.17 | m3/kmol | Hankinson and Thomson (1979), COSTALD parameters Compiled value |
| ωSRK | 0.90 | Hankinson and Thomson (1979), COSTALD parameters Compiled value | |
| Zc | 0.2393160 | KDB | |
| Zra | 0.24 | Hankinson and Thomson (1979), COSTALD parameters Compiled value |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| ΔvapH | [56.07; 90.00] | kJ/mol | [403.00; 614.40] |
|
| ΔvapH | 90.00 | kJ/mol | 403.00 | NIST |
| ΔvapH | 72.00 | kJ/mol | 562.00 | NIST |
| ΔvapH | 56.07 | kJ/mol | 614.40 | KDB |
Pressure Dependent Properties
| Property | Value | Unit | Pressure (kPa) | Source |
|---|---|---|---|---|
| Tfus(P) | [272.80; 293.70] | K | [100.00; 100100.00] |
|
| Tfus(P) | 272.80 | K | 100.00 | Solid-Liquid Equilibria under High Pressure of Nine Pure n-Alkylbenzenes |
| Tfus(P) | 277.30 | K | 20100.00 | Solid-Liquid Equilibria under High Pressure of Nine Pure n-Alkylbenzenes |
| Tfus(P) | 281.60 | K | 40300.00 | Solid-Liquid Equilibria under High Pressure of Nine Pure n-Alkylbenzenes |
| Tfus(P) | 285.90 | K | 60800.00 | Solid-Liquid Equilibria under High Pressure of Nine Pure n-Alkylbenzenes |
| Tfus(P) | 289.80 | K | 79900.00 | Solid-Liquid Equilibria under High Pressure of Nine Pure n-Alkylbenzenes |
| Tfus(P) | 293.70 | K | 100100.00 | Solid-Liquid Equilibria under High Pressure of Nine Pure n-Alkylbenzenes |
Correlations
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [351.29; 881.03] | 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 | -4.82880e+01 | |||
| Coefficient B | 1.72992e+00 | |||
| Coefficient C | -1.04100e-03 | |||
| Coefficient D | 2.40400e-07 | |||
| Coefficient E | 0.00000e+00 | |||
| Temperature range, min. | 273.00 | |||
| Temperature range, max. | 1000.00 | |||
| Cp,gas | 351.29 | J/mol×K | 273.00 | Calculated Property |
| Cp,gas | 444.07 | J/mol×K | 353.78 | Calculated Property |
| Cp,gas | 526.60 | J/mol×K | 434.56 | Calculated Property |
| Cp,gas | 599.64 | J/mol×K | 515.33 | Calculated Property |
| Cp,gas | 663.94 | J/mol×K | 596.11 | Calculated Property |
| Cp,gas | 720.27 | J/mol×K | 676.89 | Calculated Property |
| Cp,gas | 769.38 | J/mol×K | 757.67 | Calculated Property |
| Cp,gas | 812.04 | J/mol×K | 838.44 | Calculated Property |
| Cp,gas | 849.00 | J/mol×K | 919.22 | Calculated Property |
| Cp,gas | 881.03 | J/mol×K | 1000.00 | Calculated Property |
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| η | [0.0081497; 0.0002122] | Pa×s | [283.07; 548.80] |
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 | -1.23445e+01 | |||
| Coefficient B | 2.13290e+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. | 283.07 | |||
| Temperature range, max. | 548.80 | |||
| η | 0.0081497 | Pa×s | 283.07 | Calculated Property |
| η | 0.0040001 | Pa×s | 312.60 | Calculated Property |
| η | 0.0022200 | Pa×s | 342.12 | Calculated Property |
| η | 0.0013529 | Pa×s | 371.65 | Calculated Property |
| η | 0.0008868 | Pa×s | 401.17 | Calculated Property |
| η | 0.0006159 | Pa×s | 430.70 | Calculated Property |
| η | 0.0004483 | Pa×s | 460.22 | Calculated Property |
| η | 0.0003390 | Pa×s | 489.75 | Calculated Property |
| η | 0.0002647 | Pa×s | 519.27 | Calculated Property |
| η | 0.0002122 | Pa×s | 548.80 | Calculated Property |
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Pvap | [1.33; 202.63] | kPa | [469.17; 645.82] |
The Yaws Handbook of Vapor Pressure
|
| Equation | ln(Y) = A + B/(T + C) Y is Pvap in kPa, T in K | |||
| Coefficient A | 1.56301e+01 | |||
| Coefficient B | -5.56665e+03 | |||
| Coefficient C | -1.06350e+02 | |||
| Temperature range, min. | 469.17 | |||
| Temperature range, max. | 645.82 | |||
| Pvap | 1.33 | kPa | 469.17 | Calculated Property |
| Pvap | 2.93 | kPa | 488.80 | Calculated Property |
| Pvap | 5.96 | kPa | 508.43 | Calculated Property |
| Pvap | 11.36 | kPa | 528.05 | Calculated Property |
| Pvap | 20.43 | kPa | 547.68 | Calculated Property |
| Pvap | 34.95 | kPa | 567.31 | Calculated Property |
| Pvap | 57.23 | kPa | 586.94 | Calculated Property |
| Pvap | 90.16 | kPa | 606.56 | Calculated Property |
| Pvap | 137.25 | kPa | 626.19 | Calculated Property |
| Pvap | 202.63 | kPa | 645.82 | Calculated Property |
| Pvap | [1.73e-07; 1644.72] | kPa | [283.15; 783.00] |
KDB Vapor Pressure Data
|
| Equation | ln(Y) = A + B/T + C·ln(T) + D·T² + E/T² Y is Pvap in kPa, T in K | |||
| Coefficient A | 2.89788e+02 | |||
| Coefficient B | -2.39686e+04 | |||
| Coefficient C | -3.93295e+01 | |||
| Coefficient D | 1.67783e-05 | |||
| Coefficient E | 0.00000e+00 | |||
| Temperature range, min. | 283.15 | |||
| Temperature range, max. | 783.00 | |||
| Pvap | 1.73e-07 | kPa | 283.15 | Calculated Property |
| Pvap | 2.88e-04 | kPa | 338.69 | Calculated Property |
| Pvap | 0.03 | kPa | 394.23 | Calculated Property |
| Pvap | 0.70 | kPa | 449.77 | Calculated Property |
| Pvap | 6.08 | kPa | 505.31 | Calculated Property |
| Pvap | 29.81 | kPa | 560.84 | Calculated Property |
| Pvap | 102.39 | kPa | 616.38 | Calculated Property |
| Pvap | 284.40 | kPa | 671.92 | Calculated Property |
| Pvap | 702.27 | kPa | 727.46 | Calculated Property |
| Pvap | 1644.72 | kPa | 783.00 | Calculated Property |
Similar Compounds
Find more compounds similar to Benzene, tridecyl-.
Sources
- KDB Vapor Pressure Data
- Jean-Claude Bradley Open Melting Point Dataset (2014, CC0) ChEDL chemicals 1.5.2, from Bradley, J.-C.; Williams, A.; Lang, A. Jean-Claude Bradley Open Melting Point Dataset. Figshare, 2014 (CC0).
- Hankinson and Thomson (1979), COSTALD parameters ChEDL chemicals 1.5.2, from Hankinson, R. W.; Thomson, G. H. A New Correlation for Saturated Densities of Liquids and Their Mixtures. AIChE J. 1979, 25, 653-663.
- PSRK revision IV (2005), critical constants and acentric factors of 1000 components ChEDL chemicals 1.5.2, from Horstmann, S.; Jabłoniec, A.; Krafczyk, J.; Fischer, K.; Gmehling, J. PSRK Group Contribution Equation of State: Comprehensive Revision and Extension IV, Including Critical Constants and α-Function Parameters for 1000 Components. Fluid Phase Equilib. 2005, 227, 157-164.
- Cheméo Relay (1.0)
- Crippen Method
- Crippen Method
- Solid-Liquid Equilibria under High Pressure of Nine Pure n-Alkylbenzenes
- Joback Method
- KDB
- McGowan Method
- NIST Webbook
- The Yaws Handbook of Vapor Pressure
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