- InChI
- InChI=1S/C7H5N/c8-6-7-4-2-1-3-5-7/h1-5H
- InChI Key
- JFDZBHWFFUWGJE-UHFFFAOYSA-N
- Formula
- C7H5N
- SMILES
- N#Cc1ccccc1
- Molecular Weight1
- 103.12
- CAS
- 100-47-0
- Other Names
-
- Benzene, cyano-
- Benzenenitrile
- Benzoic acid nitrile
- Cyanobenzene
- Fenylkyanid
- Phenyl cyanide
- UN 2224
- ω : Acentric Factor.
- PAff : Proton affinity (kJ/mol).
- BasG : Gas basicity (kJ/mol).
- ΔcH°liquid : Standard liquid enthalpy of combustion (kJ/mol).
- Cp,gas : Ideal gas heat capacity (J/mol×K).
- Cp,liquid : Liquid phase heat capacity (J/mol×K).
- μ : Dipole Moment (debye).
- η : Dynamic viscosity (Pa×s).
- EA : Electron affinity (eV).
- Tflash,oc : Flash Point (Open Cup Method) (K).
- ΔfG° : Standard Gibbs free energy of formation (kJ/mol).
- ΔfH°gas : Enthalpy of formation at standard conditions (kJ/mol).
- ΔfH°liquid : Liquid phase 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).
- 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).
- NFPA Fire : NFPA Fire Rating.
- NFPA Health : NFPA Health Rating.
- NFPA Safety : NFPA Safety Rating.
- Pc : Critical Pressure (kPa).
- Pvap : Vapor pressure (kPa).
- n0 : Refractive Index.
- ρc : Critical density (kg/m3).
- ρl : Liquid Density (kg/m3).
- Inp : Non-polar retention indices.
- I : Polar retention indices.
- ΔfusS : Entropy of fusion at a given temperature (J/mol×K).
- S°liquid : Liquid phase molar entropy at standard conditions (J/mol×K).
- csound,fluid : Speed of sound in fluid (m/s).
- γ : Surface Tension (N/m).
- Tboil : Normal Boiling Point Temperature (K).
- Tboilr : Boiling point at reduced pressure (K).
- Tc : Critical Temperature (K).
- Tfus : Normal melting (fusion) point (K).
- Ttriple : Triple Point Temperature (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 | 0.3620 | KDB | |
| PAff | 811.50 | kJ/mol | NIST |
| BasG | 780.90 | kJ/mol | NIST |
| ΔcH°liquid | [-3632.30; -3632.30] | kJ/mol |
|
| ΔcH°liquid | -3632.30 ± 1.50 | kJ/mol | NIST |
| ΔcH°liquid | -3632.30 | kJ/mol | NIST |
| Cp,liquid | 166.41 | J/mol×K | Thermod... |
| μ | 3.50 | debye | KDB |
| EA | [0.26; 0.26] | eV |
|
| EA | 0.26 ± 0.10 | eV | NIST |
| EA | 0.26 ± 0.02 | eV | NIST |
| Tflash,oc | 348.15 | K | KDB |
| ΔfG° | 261.00 | kJ/mol | KDB |
| ΔfH°gas | [219.00; 219.00] | kJ/mol |
|
| ΔfH°gas | 219.00 | kJ/mol | KDB |
| ΔfH°gas | 219.00 | kJ/mol | NIST |
| ΔfH°gas | 219.00 | kJ/mol | NIST |
| ΔfH°liquid | [163.20; 163.20] | kJ/mol |
|
| ΔfH°liquid | 163.20 ± 1.50 | kJ/mol | NIST |
| ΔfH°liquid | 163.20 ± 1.50 | kJ/mol | NIST |
| ΔfusH° | 9.43 | kJ/mol | Joback Calculated Property |
| ΔvapH° | [55.48; 55.80] | kJ/mol |
|
| ΔvapH° | 55.48 | kJ/mol | NIST |
| ΔvapH° | 55.80 | kJ/mol | NIST |
| IE | [9.60; 10.13] | eV |
|
| IE | 9.73 ± 0.01 | eV | NIST |
| IE | 9.73 ± 0.00 | eV | NIST |
| IE | 9.60 | eV | NIST |
| IE | Outlier 10.13 ± 0.03 | eV | NIST |
| IE | 9.69 | eV | NIST |
| IE | 9.62 | eV | NIST |
| IE | 9.70 | eV | NIST |
| IE | 9.77 | eV | NIST |
| IE | 9.71 ± 0.01 | eV | NIST |
| IE | 9.79 | eV | NIST |
| IE | 9.80 | eV | NIST |
| IE | 9.71 | eV | NIST |
| IE | 9.71 | eV | NIST |
| IE | 9.70 | eV | NIST |
| IE | 9.72 | eV | NIST |
| IE | 9.70 | eV | NIST |
| IE | Outlier 10.02 | eV | NIST |
| log10WS | [-1.00; -1.00] |
|
|
| log10WS | -1.00 | Aq. Sol... | |
| log10WS | -1.00 | Estimat... | |
| logPoct/wat | 1.558 | Crippen Calculated Property | |
| McVol | 87.110 | ml/mol | McGowan Calculated Property |
| NFPA Fire | 1 | KDB | |
| NFPA Health | 1 | KDB | |
| NFPA Safety | 1 | KDB | |
| Pc | [4210.00; 4220.00] | kPa |
|
| Pc | 4210.00 | kPa | KDB |
| Pc | 4215.00 ± 4.00 | kPa | NIST |
| Pc | 4220.00 ± 101.32 | kPa | NIST |
| Pc | 4215.12 ± 151.99 | kPa | NIST |
| Pc | 4215.12 ± 151.99 | kPa | NIST |
| ρc | 313.18 ± 3.09 | kg/m3 | NIST |
| Inp | [150.10; 1003.00] |
|
|
| Inp | 953.00 | NIST | |
| Inp | 936.00 | NIST | |
| Inp | 965.00 | NIST | |
| Inp | 973.00 | NIST | |
| Inp | 994.00 | NIST | |
| Inp | 937.30 | NIST | |
| Inp | 987.90 | NIST | |
| Inp | 986.00 | NIST | |
| Inp | 940.10 | NIST | |
| Inp | 983.40 | NIST | |
| Inp | 976.00 | NIST | |
| Inp | 983.00 | NIST | |
| Inp | 1003.00 | NIST | |
| Inp | 981.00 | NIST | |
| Inp | 956.00 | NIST | |
| Inp | 947.00 | NIST | |
| Inp | 951.00 | NIST | |
| Inp | 954.00 | NIST | |
| Inp | 962.00 | NIST | |
| Inp | 970.00 | NIST | |
| Inp | 948.00 | NIST | |
| Inp | 989.00 | NIST | |
| Inp | 989.90 | NIST | |
| Inp | 985.00 | NIST | |
| Inp | 982.00 | NIST | |
| Inp | 993.00 | NIST | |
| Inp | 994.00 | NIST | |
| Inp | 984.00 | NIST | |
| Inp | 984.00 | NIST | |
| Inp | 965.00 | NIST | |
| Inp | 988.00 | NIST | |
| Inp | 951.00 | NIST | |
| Inp | 981.00 | NIST | |
| Inp | 965.00 | NIST | |
| Inp | 992.00 | NIST | |
| Inp | 992.00 | NIST | |
| Inp | 943.00 | NIST | |
| Inp | 965.00 | NIST | |
| Inp | 943.00 | NIST | |
| Inp | 958.00 | NIST | |
| Inp | 987.00 | NIST | |
| Inp | 965.00 | NIST | |
| Inp | 955.00 | NIST | |
| Inp | Outlier 150.10 | NIST | |
| Inp | Outlier 150.40 | NIST | |
| Inp | 1003.00 | NIST | |
| Inp | 953.00 | NIST | |
| Inp | 993.00 | NIST | |
| Inp | 988.00 | NIST | |
| Inp | 992.00 | NIST | |
| Inp | 987.00 | NIST | |
| I | [1570.00; 1629.00] |
|
|
| I | 1583.00 | NIST | |
| I | Outlier 1629.00 | NIST | |
| I | 1591.00 | NIST | |
| I | 1570.00 | NIST | |
| I | 1614.00 | NIST | |
| I | 1583.00 | NIST | |
| I | 1583.00 | NIST | |
| I | 1583.00 | NIST | |
| S°liquid | [209.10; 209.10] | J/mol×K |
|
| S°liquid | 209.10 | J/mol×K | NIST |
| S°liquid | 209.10 | J/mol×K | NIST |
| S°liquid | 209.10 | J/mol×K | NIST |
| Tboil | [461.90; 464.50] | K |
|
| Tboil | 464.30 | K | KDB |
| Tboil | 462.70 | K | NIST |
| Tboil | 463.90 | K | NIST |
| Tboil | 464.00 | K | NIST |
| Tboil | 463.80 | K | NIST |
| Tboil | 464.15 ± 0.30 | K | NIST |
| Tboil | 463.85 ± 0.60 | K | NIST |
| Tboil | Outlier 461.90 ± 1.00 | K | NIST |
| Tboil | 464.10 ± 0.60 | K | NIST |
| Tboil | 464.00 ± 0.40 | K | NIST |
| Tboil | 464.30 ± 0.70 | K | NIST |
| Tboil | 464.25 ± 0.30 | K | NIST |
| Tboil | 464.50 ± 0.30 | K | NIST |
| Tboil | 464.45 ± 0.30 | K | NIST |
| Tboil | 463.85 ± 0.50 | K | NIST |
| Tc | [699.20; 705.25] | K |
|
| Tc | 699.40 | K | KDB |
| Tc | 699.40 ± 1.00 | K | NIST |
| Tc | 699.20 ± 3.00 | K | NIST |
| Tc | 701.25 ± 2.50 | K | NIST |
| Tc | 699.35 ± 2.50 | K | NIST |
| Tc | 700.45 ± 2.50 | K | NIST |
| Tc | Outlier 705.25 ± 2.50 | K | NIST |
| Tfus | [259.15; 286.15] | K |
|
| Tfus | 260.22 | K | Aq. Sol... |
| Tfus | 260.40 | K | KDB |
| Tfus | 260.00 | K | NIST |
| Tfus | Outlier 286.15 ± 1.00 | K | NIST |
| Tfus | 259.15 ± 0.00 | K | NIST |
| Tfus | 260.28 ± 0.25 | K | NIST |
| Tfus | 260.40 ± 0.15 | K | NIST |
| Tfus | 259.35 ± 0.50 | K | NIST |
| Tfus | 259.35 ± 0.40 | K | NIST |
| Tfus | 260.05 ± 0.30 | K | NIST |
| Ttriple | [260.33; 260.33] | K |
|
| Ttriple | 260.33 ± 0.02 | K | NIST |
| Ttriple | 260.33 ± 0.02 | K | NIST |
| Ttriple | 260.33 ± 0.02 | K | NIST |
| Vc | 0.345 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [161.30; 206.96] | J/mol×K | [488.32; 724.27] |
|
| Cp,gas | 161.30 | J/mol×K | 488.32 | Joback Calculated Property |
| Cp,gas | 170.44 | J/mol×K | 527.64 | Joback Calculated Property |
| Cp,gas | 178.93 | J/mol×K | 566.97 | Joback Calculated Property |
| Cp,gas | 186.79 | J/mol×K | 606.29 | Joback Calculated Property |
| Cp,gas | 194.06 | J/mol×K | 645.62 | Joback Calculated Property |
| Cp,gas | 200.77 | J/mol×K | 684.94 | Joback Calculated Property |
| Cp,gas | 206.96 | J/mol×K | 724.27 | Joback Calculated Property |
| Cp,liquid | [161.10; 166.52] | J/mol×K | [298.15; 298.15] |
|
| Cp,liquid | 161.10 | J/mol×K | 298.15 | NIST |
| Cp,liquid | 166.24 | J/mol×K | 298.15 | NIST |
| Cp,liquid | 165.20 | J/mol×K | 298.15 | NIST |
| Cp,liquid | 166.52 | J/mol×K | 298.15 | NIST |
| Cp,liquid | 165.20 | J/mol×K | 298.15 | NIST |
| Cp,liquid | 165.20 | J/mol×K | 298.15 | NIST |
| η | [0.0010010; 0.0011710] | Pa×s | [298.15; 313.15] |
|
| η | 0.0011710 | Pa×s | 298.15 | Excess ... |
| η | 0.0011260 | Pa×s | 303.15 | Excess ... |
| η | 0.0010680 | Pa×s | 308.15 | Excess ... |
| η | 0.0010010 | Pa×s | 313.15 | Excess ... |
| ΔfusH | [10.98; 10.98] | kJ/mol | [260.30; 260.33] |
|
| ΔfusH | 10.98 | kJ/mol | 260.30 | NIST |
| ΔfusH | 10.98 | kJ/mol | 260.30 | NIST |
| ΔfusH | 10.98 | kJ/mol | 260.33 | NIST |
| ΔfusH | 10.98 | kJ/mol | 260.33 | NIST |
| ΔfusH | 10.98 | kJ/mol | 260.33 | NIST |
| ΔvapH | [47.45; 49.10] | kJ/mol | [382.50; 464.10] |
|
| ΔvapH | 49.10 | kJ/mol | 382.50 | NIST |
| ΔvapH | 47.45 | kJ/mol | 464.10 | KDB |
| n0 | [1.52890; 1.53210] | [277.43; 284.13] |
|
|
| n0 | 1.53210 | 277.43 | The mea... | |
| n0 | 1.53180 | 278.33 | The mea... | |
| n0 | 1.53120 | 279.49 | The mea... | |
| n0 | 1.53070 | 280.36 | The mea... | |
| n0 | 1.53070 | 280.38 | The mea... | |
| n0 | 1.53050 | 280.86 | The mea... | |
| n0 | 1.52990 | 281.97 | The mea... | |
| n0 | 1.52890 | 284.13 | The mea... | |
| ρl | [977.90; 1013.99] | kg/m3 | [283.15; 323.15] |
|
| ρl | 1013.99 | kg/m3 | 283.15 | Measure... |
| ρl | 1012.21 | kg/m3 | 285.15 | Measure... |
| ρl | 1010.00 | kg/m3 | 288.00 | KDB |
| ρl | 1009.55 | kg/m3 | 288.15 | Measure... |
| ρl | 1005.12 | kg/m3 | 293.15 | Measure... |
| ρl | 1000.60 | kg/m3 | 298.15 | Thermop... |
| ρl | 1000.69 | kg/m3 | 298.15 | Measure... |
| ρl | 996.26 | kg/m3 | 303.15 | Measure... |
| ρl | 995.90 | kg/m3 | 303.15 | Thermop... |
| ρl | 991.83 | kg/m3 | 308.15 | Measure... |
| ρl | 991.40 | kg/m3 | 308.15 | Thermop... |
| ρl | 987.40 | kg/m3 | 313.15 | Measure... |
| ρl | 986.90 | kg/m3 | 313.15 | Thermop... |
| ρl | 982.50 | kg/m3 | 318.15 | Thermop... |
| ρl | 982.96 | kg/m3 | 318.15 | Measure... |
| ρl | 977.90 | kg/m3 | 323.15 | Thermop... |
| ΔfusS | [42.16; 42.16] | J/mol×K | [260.33; 260.33] |
|
| ΔfusS | 42.16 | J/mol×K | 260.33 | NIST |
| ΔfusS | 42.16 | J/mol×K | 260.33 | NIST |
| ΔfusS | 42.16 | J/mol×K | 260.33 | NIST |
| csound,fluid | [1352.90; 1436.90] | m/s | [293.15; 318.15] |
|
| csound,fluid | 1436.90 | m/s | 293.15 | Densiti... |
| csound,fluid | 1418.20 | m/s | 298.15 | Densiti... |
| csound,fluid | 1400.70 | m/s | 303.15 | Densiti... |
| csound,fluid | 1384.00 | m/s | 308.15 | Densiti... |
| csound,fluid | 1368.20 | m/s | 313.15 | Densiti... |
| csound,fluid | 1352.90 | m/s | 318.15 | Densiti... |
| γ | 0.04 | N/m | 293.20 | KDB |
Pressure Dependent Properties
| Property | Value | Unit | Pressure (kPa) | Source |
|---|---|---|---|---|
| Tboilr | 342.00 | K | 1.30 | NIST |
Correlations
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Pvap | [1.33; 202.66] | kPa | [341.12; 493.91] |
The Yaw...
|
| Equation | ln(Pvp) = A + B/(T + C) | |||
| Coefficient A | 1.49604e+01 | |||
| Coefficient B | -4.30561e+03 | |||
| Coefficient C | -4.76780e+01 | |||
| Temperature range, min. | 341.12 | |||
| Temperature range, max. | 493.91 | |||
| Pvap | 1.33 | kPa | 341.12 | Calculated Property |
| Pvap | 2.97 | kPa | 358.10 | Calculated Property |
| Pvap | 6.11 | kPa | 375.07 | Calculated Property |
| Pvap | 11.68 | kPa | 392.05 | Calculated Property |
| Pvap | 21.01 | kPa | 409.03 | Calculated Property |
| Pvap | 35.86 | kPa | 426.00 | Calculated Property |
| Pvap | 58.46 | kPa | 442.98 | Calculated Property |
| Pvap | 91.55 | kPa | 459.96 | Calculated Property |
| Pvap | 138.37 | kPa | 476.93 | Calculated Property |
| Pvap | 202.66 | kPa | 493.91 | Calculated Property |
Similar Compounds
Find more compounds similar to Benzonitrile.
Mixtures
- Benzonitrile + Ethylbenzene
- Benzonitrile + o-Xylene
- Benzonitrile + Benzene, 1,3-dimethyl-
- Benzonitrile + p-Xylene
- Benzonitrile + Mesitylene
- Benzene, (1-methylethyl)- + Benzonitrile
- Benzonitrile + Benzene, 1,2,4-trimethyl-
- Benzonitrile + Anisole
- Benzonitrile + Octane
- Benzonitrile + Nonane
- Diethyl carbonate + Benzonitrile
- Benzonitrile + Methyl methacrylate
- Benzonitrile + Methacrylic acid, ethyl ester
- Benzonitrile + n-Butyl methacrylate
- Benzonitrile + Formamide, N,N-dimethyl-
- Carbon dioxide + Benzonitrile + Ethanol
- Benzonitrile + Ethanol
- Benzonitrile + Acetone + Water
- Benzonitrile + Dimethyl Sulfoxide + Water
- Benzonitrile + Ethyl Acetate + Water
Find more mixtures with Benzonitrile.
Sources
- Crippen Method
- Thermodynamics of mixtures involving some (benzene derivatives + benzonitrile)
- The measurements of coexistence curves and light scattering for {xC6H5CN + (1- x)CH3(CH2)6CH3} in the critical region
- Thermophysical and optical studies of molecular interactions in binary mixtures of diethyl carbonate with aromatic compounds at temperatures from 298.15 to 323.15 K
- Densities, speeds of sound and excess properties of (benzonitrile + methyl methacrylate, or + ethyl methacrylate, or + n-butyl methacrylate) binary mixtures at temperatures from 293.15 K to 318.15 K
- Excess Molar Volumes and Deviations in Viscosity of Binary Mixtures of N,N-Dimethylformamide with Aniline and Benzonitrile at (298.15, 303.15, 308.15, and 313.15) K
- Liquid-Liquid Equilibria of Water + Benzonitrile + Propanone, or + Dimethylsulfoxide
- Liquid-Liquid Equilibria for Water + Benzonitrile + Ethyl Acetate or + Butyl Acetate
- Measurements of Density and Heat Capacity for Binary Mixtures {x Benzonitrile + (1 -x) (Octane or Nonane)}
- Diffusion of Benzonitrile in CO2-Expanded Ethanol
- Liquid-Liquid Equilibria for Water + Benzonitrile + N-Methylacetamide, or + N,N-Dimethylacetamide
- Joback Method
- KDB
- Aqueous Solubility Prediction Method
- Estimated Solubility Method
- McGowan Method
- NIST Webbook
- The Yaws Handbook of Vapor Pressure
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