- InChI
- InChI=1S/C20H34/c1-2-3-4-5-6-7-8-9-10-11-12-14-17-20-18-15-13-16-19-20/h13,15-16,18-19H,2-12,14,17H2,1H3
- InChI Key
- JZALLXAUNPOCEU-UHFFFAOYSA-N
- Formula
- C20H34
- SMILES
- CCCCCCCCCCCCCCc1ccccc1
- Molecular Weight1
- 274.48
- CAS
- 1459-10-5
- Other Names
-
- 1-phenyltetradecane
- Phenyl-n-tetradecane
- n-Tetradecylbenzene
- tetradecane, 1-phenyl-
- tetradecylbenzene
- 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.
- Tboil : Normal Boiling Point Temperature (K).
- Tboilr : Boiling point at reduced pressure (K).
- Tc : Critical Temperature (K).
- Tfus : Normal melting (fusion) point (K).
- Tfus(P) : 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 | 0.8171 | PSRK revision IV (2005), critical constants and acentric factors of 1000 components Compiled value | |
| ΔfG° | 229.93 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -204.74 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 41.60 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 99.60 | kJ/mol | NIST |
| IE | 9.03 | eV | Relay (1.0) Calculated Property |
| log10WS | -7.73 | Relay (1.0) Calculated Property | |
| logPoct/wat | 6.930 | Crippen Calculated Property | |
| McVol | 268.900 | ml/mol | McGowan Calculated Property |
| Pc | 1420.00 | kPa | PSRK revision IV (2005), critical constants and acentric factors of 1000 components Compiled value |
| Inp | [2056.00; 2089.90] |
|
|
| Inp | 2082.00 | NIST | |
| Inp | 2089.90 | NIST | |
| Inp | 2056.00 | NIST | |
| Tboil | 606.05 | K | Relay (1.0) Calculated Property |
| Tc | 792.00 | K | PSRK revision IV (2005), critical constants and acentric factors of 1000 components Compiled value |
| Tfus | [281.80; 285.65] | K |
|
| Tfus | 285.65 | K | Jean-Claude Bradley Open Melting Point Dataset (2014, CC0) Compiled value |
| Tfus | 282.83 ± 0.07 | K | NIST |
| Tfus | 281.80 ± 2.00 | K | NIST |
| Vc | 1.110 | m3/kmol | PSRK revision IV (2005), critical constants and acentric factors of 1000 components Compiled value |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| ΔvapH | 74.50 | kJ/mol | 575.00 | NIST |
Pressure Dependent Properties
| Property | Value | Unit | Pressure (kPa) | Source |
|---|---|---|---|---|
| Tboilr | 468.50 ± 0.50 | K | 1.00 | NIST |
| Tfus(P) | [289.10; 309.70] | K | [100.00; 99700.00] |
|
| Tfus(P) | 289.10 | K | 100.00 | Solid-Liquid Equilibria under High Pressure of Nine Pure n-Alkylbenzenes |
| Tfus(P) | 293.70 | K | 20500.00 | Solid-Liquid Equilibria under High Pressure of Nine Pure n-Alkylbenzenes |
| Tfus(P) | 297.80 | K | 40000.00 | Solid-Liquid Equilibria under High Pressure of Nine Pure n-Alkylbenzenes |
| Tfus(P) | 302.00 | K | 60300.00 | Solid-Liquid Equilibria under High Pressure of Nine Pure n-Alkylbenzenes |
| Tfus(P) | 306.00 | K | 80400.00 | Solid-Liquid Equilibria under High Pressure of Nine Pure n-Alkylbenzenes |
| Tfus(P) | 309.70 | K | 99700.00 | Solid-Liquid Equilibria under High Pressure of Nine Pure n-Alkylbenzenes |
Correlations
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [372.50; 932.62] | 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 | -4.91970e+01 | |||
| Coefficient B | 1.82492e+00 | |||
| Coefficient C | -1.09540e-03 | |||
| Coefficient D | 2.52300e-07 | |||
| Coefficient E | 0.00000e+00 | |||
| Temperature range, min. | 273.00 | |||
| Temperature range, max. | 1000.00 | |||
| Cp,gas | 372.50 | J/mol×K | 273.00 | Calculated Property |
| Cp,gas | 470.49 | J/mol×K | 353.78 | Calculated Property |
| Cp,gas | 557.68 | J/mol×K | 434.56 | Calculated Property |
| Cp,gas | 634.87 | J/mol×K | 515.33 | Calculated Property |
| Cp,gas | 702.85 | J/mol×K | 596.11 | Calculated Property |
| Cp,gas | 762.43 | J/mol×K | 676.89 | Calculated Property |
| Cp,gas | 814.40 | J/mol×K | 757.67 | Calculated Property |
| Cp,gas | 859.55 | J/mol×K | 838.44 | Calculated Property |
| Cp,gas | 898.70 | J/mol×K | 919.22 | Calculated Property |
| Cp,gas | 932.62 | J/mol×K | 1000.00 | Calculated Property |
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| η | [0.0097211; 0.0002088] | Pa×s | [283.43; 554.40] |
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 | -1.24911e+01 | |||
| Coefficient B | 2.22706e+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. | 283.43 | |||
| Temperature range, max. | 554.40 | |||
| η | 0.0097211 | Pa×s | 283.43 | Calculated Property |
| η | 0.0045711 | Pa×s | 313.53 | Calculated Property |
| η | 0.0024533 | Pa×s | 343.64 | Calculated Property |
| η | 0.0014555 | Pa×s | 373.75 | Calculated Property |
| η | 0.0009334 | Pa×s | 403.86 | Calculated Property |
| η | 0.0006367 | Pa×s | 433.97 | Calculated Property |
| η | 0.0004564 | Pa×s | 464.08 | Calculated Property |
| η | 0.0003407 | Pa×s | 494.18 | Calculated Property |
| η | 0.0002630 | Pa×s | 524.29 | Calculated Property |
| η | 0.0002088 | Pa×s | 554.40 | Calculated Property |
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Pvap | [1.33; 202.64] | kPa | [477.91; 660.41] |
The Yaws Handbook of Vapor Pressure
|
| Equation | ln(Y) = A + B/(T + C) Y is Pvap in kPa, T in K | |||
| Coefficient A | 1.59552e+01 | |||
| Coefficient B | -6.05791e+03 | |||
| Coefficient C | -9.12600e+01 | |||
| Temperature range, min. | 477.91 | |||
| Temperature range, max. | 660.41 | |||
| Pvap | 1.33 | kPa | 477.91 | Calculated Property |
| Pvap | 2.91 | kPa | 498.19 | Calculated Property |
| Pvap | 5.90 | kPa | 518.47 | Calculated Property |
| Pvap | 11.22 | kPa | 538.74 | Calculated Property |
| Pvap | 20.17 | kPa | 559.02 | Calculated Property |
| Pvap | 34.55 | kPa | 579.30 | Calculated Property |
| Pvap | 56.69 | kPa | 599.58 | Calculated Property |
| Pvap | 89.55 | kPa | 619.85 | Calculated Property |
| Pvap | 136.76 | kPa | 640.13 | Calculated Property |
| Pvap | 202.64 | kPa | 660.41 | Calculated Property |
Similar Compounds
Find more compounds similar to Benzene, tetradecyl-.
Sources
- 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).
- 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
- McGowan Method
- NIST Webbook
- The Yaws Handbook of Vapor Pressure
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