- InChI
- InChI=1S/C25H44/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-19-22-25-23-20-18-21-24-25/h18,20-21,23-24H,2-17,19,22H2,1H3
- InChI Key
- SHWJJBRTHGGZBE-UHFFFAOYSA-N
- Formula
- C25H44
- SMILES
- CCCCCCCCCCCCCCCCCCCc1ccccc1
- Molecular Weight1
- 344.63
- CAS
- 29136-19-4
- Other Names
-
- 1-phenylnonadecane
- Benzene, nonadecyl-
- Nonadecane, 1-phenyl-
- benzene, nondecyl-
- n-Nonadecylbenzene
- 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).
- 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).
- 1: Molecular weight from the IUPAC atomic weights tables.
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Physical Properties
| Property | Value | Unit | Source |
|---|---|---|---|
| ω | 0.9895 | Relay (1.0) Calculated Property | |
| ΔfG° | 272.03 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -312.62 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 54.55 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 123.79 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 9.23 | eV | Relay (1.0) Calculated Property |
| log10WS | -9.12 | Relay (1.0) Calculated Property | |
| logPoct/wat | 8.881 | Crippen Calculated Property | |
| McVol | 339.350 | ml/mol | McGowan Calculated Property |
| Pc | 925.55 | kPa | Joback Calculated Property |
| Tboil | 639.13 | K | Relay (1.0) Calculated Property |
| Tc | 825.06 | K | Relay (1.0) Calculated Property |
| Tfus | [298.10; 313.15] | K |
|
| Tfus | 313.15 | K | Jean-Claude Bradley Open Melting Point Dataset (2014, CC0) Compiled value |
| Tfus | 298.16 ± 0.40 | K | NIST |
| Tfus | 298.10 ± 0.03 | K | NIST |
| Tfus | 302.70 ± 0.04 | K | NIST |
| Vc | 1.339 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| ΔvapH | 103.60 | kJ/mol | 558.50 | NIST |
Pressure Dependent Properties
| Property | Value | Unit | Pressure (kPa) | Source |
|---|---|---|---|---|
| Tfus(P) | [302.60; 322.90] | K | [100.00; 99600.00] |
|
| Tfus(P) | 302.60 | K | 100.00 | Solid-Liquid Equilibria under High Pressure of Nine Pure n-Alkylbenzenes |
| Tfus(P) | 307.20 | K | 20000.00 | Solid-Liquid Equilibria under High Pressure of Nine Pure n-Alkylbenzenes |
| Tfus(P) | 311.60 | K | 40200.00 | Solid-Liquid Equilibria under High Pressure of Nine Pure n-Alkylbenzenes |
| Tfus(P) | 319.70 | K | 80200.00 | Solid-Liquid Equilibria under High Pressure of Nine Pure n-Alkylbenzenes |
| Tfus(P) | 322.90 | K | 99600.00 | Solid-Liquid Equilibria under High Pressure of Nine Pure n-Alkylbenzenes |
Correlations
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [478.57; 1190.58] | 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 | -5.37420e+01 | |||
| Coefficient B | 2.29992e+00 | |||
| Coefficient C | -1.36740e-03 | |||
| Coefficient D | 3.11800e-07 | |||
| Coefficient E | 0.00000e+00 | |||
| Temperature range, min. | 273.00 | |||
| Temperature range, max. | 1000.00 | |||
| Cp,gas | 478.57 | J/mol×K | 273.00 | Calculated Property |
| Cp,gas | 602.58 | J/mol×K | 353.78 | Calculated Property |
| Cp,gas | 713.07 | J/mol×K | 434.56 | Calculated Property |
| Cp,gas | 811.02 | J/mol×K | 515.33 | Calculated Property |
| Cp,gas | 897.41 | J/mol×K | 596.11 | Calculated Property |
| Cp,gas | 973.24 | J/mol×K | 676.89 | Calculated Property |
| Cp,gas | 1039.48 | J/mol×K | 757.67 | Calculated Property |
| Cp,gas | 1097.13 | J/mol×K | 838.44 | Calculated Property |
| Cp,gas | 1147.16 | J/mol×K | 919.22 | Calculated Property |
| Cp,gas | 1190.58 | J/mol×K | 1000.00 | Calculated Property |
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| η | [0.0128358; 0.0000878] | Pa×s | [303.03; 688.60] |
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 | -1.32585e+01 | |||
| Coefficient B | 2.69786e+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. | 303.03 | |||
| Temperature range, max. | 688.60 | |||
| η | 0.0128358 | Pa×s | 303.03 | Calculated Property |
| η | 0.0042608 | Pa×s | 345.87 | Calculated Property |
| η | 0.0018035 | Pa×s | 388.71 | Calculated Property |
| η | 0.0009055 | Pa×s | 431.55 | Calculated Property |
| η | 0.0005149 | Pa×s | 474.39 | Calculated Property |
| η | 0.0003215 | Pa×s | 517.24 | Calculated Property |
| η | 0.0002157 | Pa×s | 560.08 | Calculated Property |
| η | 0.0001532 | Pa×s | 602.92 | Calculated Property |
| η | 0.0001138 | Pa×s | 645.76 | Calculated Property |
| η | 0.0000878 | Pa×s | 688.60 | Calculated Property |
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Pvap | [1.33; 202.64] | kPa | [522.17; 730.40] |
The Yaws Handbook of Vapor Pressure
|
| Equation | ln(Y) = A + B/(T + C) Y is Pvap in kPa, T in K | |||
| Coefficient A | 1.36049e+01 | |||
| Coefficient B | -4.57796e+03 | |||
| Coefficient C | -1.78408e+02 | |||
| Temperature range, min. | 522.17 | |||
| Temperature range, max. | 730.40 | |||
| Pvap | 1.33 | kPa | 522.17 | Calculated Property |
| Pvap | 3.09 | kPa | 545.31 | Calculated Property |
| Pvap | 6.47 | kPa | 568.44 | Calculated Property |
| Pvap | 12.49 | kPa | 591.58 | Calculated Property |
| Pvap | 22.48 | kPa | 614.72 | Calculated Property |
| Pvap | 38.12 | kPa | 637.85 | Calculated Property |
| Pvap | 61.47 | kPa | 660.99 | Calculated Property |
| Pvap | 94.88 | kPa | 684.13 | Calculated Property |
| Pvap | 140.98 | kPa | 707.26 | Calculated Property |
| Pvap | 202.64 | kPa | 730.40 | Calculated Property |
Similar Compounds
Find more compounds similar to Nonadecylbenzene.
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).
- 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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