- InChI
- InChI=1S/C18H30/c1-2-3-4-5-6-7-8-9-10-12-15-18-16-13-11-14-17-18/h11,13-14,16-17H,2-10,12,15H2,1H3
- InChI Key
- KWKXNDCHNDYVRT-UHFFFAOYSA-N
- Formula
- C18H30
- SMILES
- CCCCCCCCCCCCc1ccccc1
- Molecular Weight1
- 246.44
- CAS
- 123-01-3
- Other Names
-
- 1-Dodecylbenzene
- 1-phenyldodecane
- Alkylate P 1
- Detergent Alkylate No. 2
- Detergent alkylate
- Laurylbenzene
- Marlican
- NSC 102805
- Nalkylene 500
- Phenyldodecan
- Phenyldodecane
- dodecane, 1-phenyl-
- dodecylbenzene
- n-Dodecylbenzene
- 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).
- ΔfusH : Enthalpy of fusion at a given temperature (kJ/mol).
- ΔsubH° : Enthalpy of sublimation 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.
- γ : Surface Tension (N/m).
- 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).
- Zc : Critical Compressibility.
- 1: Molecular weight from the IUPAC atomic weights tables.
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Physical Properties
| Property | Value | Unit | Source |
|---|---|---|---|
| ω | [0.7278; 0.7730] |
|
|
| ω | 0.7278 | PSRK revision IV (2005), critical constants and acentric factors of 1000 components Compiled value | |
| ω | 0.7730 | KDB | |
| ΔfG° | 213.09 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -162.75 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 36.42 | kJ/mol | Joback Calculated Property |
| ΔsubH° | 135.10 | kJ/mol | NIST |
| ΔvapH° | 89.60 | kJ/mol | NIST |
| IE | 9.10 ± 0.10 | eV | NIST |
| log10WS | -7.15 | Relay (1.0) Calculated Property | |
| logPoct/wat | 6.150 | Crippen Calculated Property | |
| McVol | 240.720 | ml/mol | McGowan Calculated Property |
| Pc | [1570.54; 1580.00] | kPa |
|
| Pc | 1570.54 | kPa | PSRK revision IV (2005), critical constants and acentric factors of 1000 components Compiled value |
| Pc | 1580.00 | kPa | KDB |
| Inp | [1866.00; 1878.00] |
|
|
| Inp | 1878.00 | NIST | |
| Inp | 1872.60 | NIST | |
| Inp | 1870.00 | NIST | |
| Inp | 1866.00 | NIST | |
| Inp | 1872.60 | NIST | |
| Inp | 1866.00 | NIST | |
| Inp | 1878.00 | NIST | |
| Ip | [2141.00; 2180.00] |
|
|
| Ip | 2180.00 | NIST | |
| Ip | 2169.00 | NIST | |
| Ip | 2141.00 | NIST | |
| Ip | 2155.00 | NIST | |
| Tboil | [590.00; 600.80] | K |
|
| Tboil | 600.80 | K | KDB |
| Tboil | 590.00 ± 5.00 | K | NIST |
| Tc | [774.00; 779.10] | K |
|
| Tc | 779.10 | K | PSRK revision IV (2005), critical constants and acentric factors of 1000 components Compiled value |
| Tc | 774.00 | K | KDB |
| Tfus | [266.00; 276.00] | K |
|
| Tfus | 271.15 | K | Jean-Claude Bradley Open Melting Point Dataset (2014, CC0) Compiled value |
| Tfus | 276.00 | K | KDB |
| Tfus | 270.00 ± 2.00 | K | NIST |
| Tfus | 266.00 ± 2.00 | K | NIST |
| Vc | [0.980; 0.980] | m3/kmol |
|
| Vc | 0.980 | m3/kmol | PSRK revision IV (2005), critical constants and acentric factors of 1000 components Compiled value |
| Vc | 0.980 | m3/kmol | KDB |
| Zc | 0.2406050 | KDB |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| ΔfusH | 43.10 | kJ/mol | 274.60 | NIST |
| ΔvapH | [54.39; 92.00] | kJ/mol | [275.00; 600.80] |
|
| ΔvapH | 92.00 | kJ/mol | 275.00 | NIST |
| ΔvapH | 83.20 | kJ/mol | 393.00 | NIST |
| ΔvapH | 80.60 | kJ/mol | 396.00 | NIST |
| ΔvapH | 67.40 | kJ/mol | 552.50 | NIST |
| ΔvapH | 54.39 | kJ/mol | 600.80 | KDB |
| γ | 0.03 | N/m | 294.30 | Densities and Viscosities at 293.15 373.15 K, Speeds of Sound and Bulk Moduli at 293.15 333.15 K, Surface Tensions, and Flash Points of Binary Mixtures of n-Hexadecane and Alkylbenzenes at 0.1 MPa |
Pressure Dependent Properties
| Property | Value | Unit | Pressure (kPa) | Source |
|---|---|---|---|---|
| Tfus(P) | [269.70; 292.00] | K | [100.00; 100000.00] |
|
| Tfus(P) | 269.70 | K | 100.00 | Solid-Liquid Equilibria under High Pressure of Nine Pure n-Alkylbenzenes |
| Tfus(P) | 274.40 | K | 20200.00 | Solid-Liquid Equilibria under High Pressure of Nine Pure n-Alkylbenzenes |
| Tfus(P) | 279.00 | K | 40100.00 | Solid-Liquid Equilibria under High Pressure of Nine Pure n-Alkylbenzenes |
| Tfus(P) | 283.40 | K | 60000.00 | Solid-Liquid Equilibria under High Pressure of Nine Pure n-Alkylbenzenes |
| Tfus(P) | 287.80 | K | 79900.00 | Solid-Liquid Equilibria under High Pressure of Nine Pure n-Alkylbenzenes |
| Tfus(P) | 292.00 | K | 100000.00 | Solid-Liquid Equilibria under High Pressure of Nine Pure n-Alkylbenzenes |
Correlations
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [330.07; 829.44] | 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 | -4.73790e+01 | |||
| Coefficient B | 1.63492e+00 | |||
| Coefficient C | -9.86600e-04 | |||
| Coefficient D | 2.28500e-07 | |||
| Coefficient E | 0.00000e+00 | |||
| Temperature range, min. | 273.00 | |||
| Temperature range, max. | 1000.00 | |||
| Cp,gas | 330.07 | J/mol×K | 273.00 | Calculated Property |
| Cp,gas | 417.66 | J/mol×K | 353.78 | Calculated Property |
| Cp,gas | 495.53 | J/mol×K | 434.56 | Calculated Property |
| Cp,gas | 564.41 | J/mol×K | 515.33 | Calculated Property |
| Cp,gas | 625.03 | J/mol×K | 596.11 | Calculated Property |
| Cp,gas | 678.11 | J/mol×K | 676.89 | Calculated Property |
| Cp,gas | 724.36 | J/mol×K | 757.67 | Calculated Property |
| Cp,gas | 764.52 | J/mol×K | 838.44 | Calculated Property |
| Cp,gas | 799.31 | J/mol×K | 919.22 | Calculated Property |
| Cp,gas | 829.44 | J/mol×K | 1000.00 | Calculated Property |
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| η | [0.0093539; 0.0002138] | Pa×s | [270.79; 543.58] |
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 | -1.22009e+01 | |||
| Coefficient B | 2.03874e+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. | 270.79 | |||
| Temperature range, max. | 543.58 | |||
| η | 0.0093539 | Pa×s | 270.79 | Calculated Property |
| η | 0.0043836 | Pa×s | 301.10 | Calculated Property |
| η | 0.0023598 | Pa×s | 331.41 | Calculated Property |
| η | 0.0014093 | Pa×s | 361.72 | Calculated Property |
| η | 0.0009115 | Pa×s | 392.03 | Calculated Property |
| η | 0.0006276 | Pa×s | 422.34 | Calculated Property |
| η | 0.0004542 | Pa×s | 452.65 | Calculated Property |
| η | 0.0003424 | Pa×s | 482.96 | Calculated Property |
| η | 0.0002668 | Pa×s | 513.27 | Calculated Property |
| η | 0.0002138 | Pa×s | 543.58 | Calculated Property |
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Pvap | [1.31; 201.29] | kPa | [456.15; 635.15] |
The Yaws Handbook of Vapor Pressure
|
| Equation | ln(Y) = A + B/(T + C) Y is Pvap in kPa, T in K | |||
| Coefficient A | 1.52577e+01 | |||
| Coefficient B | -5.30559e+03 | |||
| Coefficient C | -1.02085e+02 | |||
| Temperature range, min. | 456.15 | |||
| Temperature range, max. | 635.15 | |||
| Pvap | 1.31 | kPa | 456.15 | Calculated Property |
| Pvap | 2.92 | kPa | 476.04 | Calculated Property |
| Pvap | 5.97 | kPa | 495.93 | Calculated Property |
| Pvap | 11.40 | kPa | 515.82 | Calculated Property |
| Pvap | 20.54 | kPa | 535.71 | Calculated Property |
| Pvap | 35.12 | kPa | 555.59 | Calculated Property |
| Pvap | 57.41 | kPa | 575.48 | Calculated Property |
| Pvap | 90.21 | kPa | 595.37 | Calculated Property |
| Pvap | 136.86 | kPa | 615.26 | Calculated Property |
| Pvap | 201.29 | kPa | 635.15 | Calculated Property |
| Pvap | [2.55e-07; 1733.22] | kPa | [275.93; 774.26] |
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 | 2.68186e+02 | |||
| Coefficient B | -2.21930e+04 | |||
| Coefficient C | -3.63255e+01 | |||
| Coefficient D | 1.59623e-05 | |||
| Coefficient E | 0.00000e+00 | |||
| Temperature range, min. | 275.93 | |||
| Temperature range, max. | 774.26 | |||
| Pvap | 2.55e-07 | kPa | 275.93 | Calculated Property |
| Pvap | 3.91e-04 | kPa | 331.30 | Calculated Property |
| Pvap | 0.04 | kPa | 386.67 | Calculated Property |
| Pvap | 0.84 | kPa | 442.04 | Calculated Property |
| Pvap | 7.09 | kPa | 497.41 | Calculated Property |
| Pvap | 33.84 | kPa | 552.78 | Calculated Property |
| Pvap | 113.89 | kPa | 608.15 | Calculated Property |
| Pvap | 310.80 | kPa | 663.52 | Calculated Property |
| Pvap | 754.21 | kPa | 718.89 | Calculated Property |
| Pvap | 1733.22 | kPa | 774.26 | Calculated Property |
Similar Compounds
Find more compounds similar to Benzene, dodecyl-.
Mixtures
- Furfural + Benzene, dodecyl- + Water
- Pentanoic acid, 4-oxo- + Benzene, dodecyl- + Water
- Hexadecane + Benzene, dodecyl-
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).
- 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
- Densities and Viscosities at 293.15 373.15 K, Speeds of Sound and Bulk Moduli at 293.15 333.15 K, Surface Tensions, and Flash Points of Binary Mixtures of n-Hexadecane and Alkylbenzenes at 0.1 MPa
- Liquid-Liquid Equilibria of Formic Acid and Furfural in a Biphasic Aqueous-Organic System: Optimization of Solvent and Amine Extractant
- 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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