- InChI
- InChI=1S/C7H7Cl/c8-6-7-4-2-1-3-5-7/h1-5H,6H2
- InChI Key
- KCXMKQUNVWSEMD-UHFFFAOYSA-N
- Formula
- C7H7Cl
- SMILES
- ClCc1ccccc1
- Molecular Weight1
- 126.58
- CAS
- 100-44-7
- Other Names
-
- (CHLOROMETHYL)BENZENE
- .alpha.-chlorotoluene
- ALPHA-CHLOROTOLUENE
- Benzene, (chloromethyl)-
- Benzile (cloruro di)
- Benzylchlorid
- Benzylchloride
- Benzyle (chlorure de)
- C6H5CH2Cl
- Chloromethylbenzene
- Chlorophenylmethane
- Chlorure de benzyle
- NCI-C06360
- NSC 8043
- Phenylmethyl chloride
- Rcra waste number P028
- Toluene, «alpha»-chloro-
- Toluene, «alpha»-chloro-
- Tolyl chloride
- UN 1738
- benzene, chloromethyl-
- «alpha»-Chlorotoluene
- «alpha»-Chlortoluol
- «omega»-Chlorotoluene
- «alpha»-Chlorotoluene
- «alpha»-Chlortoluol
- «omega»-Chlorotoluene
- Cp,gas : Ideal gas heat capacity (J/mol×K).
- Cp,liquid : Liquid phase 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).
- 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).
- ρl : Liquid Density (kg/m3).
- Inp : Non-polar retention indices.
- I : Polar retention indices.
- Tboil : Normal Boiling Point Temperature (K).
- Tc : Critical Temperature (K).
- Tfus : Normal melting (fusion) 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 |
|---|---|---|---|
| ΔfG° | 108.54 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | 19.00 ± 3.00 | kJ/mol | NIST |
| ΔfH°liquid | -33.00 ± 3.00 | kJ/mol | NIST |
| ΔfusH° | 12.12 | kJ/mol | Joback Calculated Property |
| ΔvapH° | [49.90; 51.00] | kJ/mol |
|
| ΔvapH° | 50.10 ± 0.30 | kJ/mol | NIST |
| ΔvapH° | 49.90 | kJ/mol | NIST |
| ΔvapH° | 50.10 ± 0.50 | kJ/mol | NIST |
| ΔvapH° | 51.00 ± 2.00 | kJ/mol | NIST |
| IE | [9.10; 9.30] | eV |
|
| IE | 9.10 ± 0.02 | eV | NIST |
| IE | 9.14 ± 0.01 | eV | NIST |
| IE | 9.14 ± 0.01 | eV | NIST |
| IE | 9.10 ± 0.05 | eV | NIST |
| IE | 9.30 | eV | NIST |
| IE | 9.29 | eV | NIST |
| IE | 9.30 | eV | NIST |
| log10WS | [-2.39; -2.39] |
|
|
| log10WS | -2.39 | Aq. Sol... | |
| log10WS | -2.39 | Estimat... | |
| logPoct/wat | 2.425 | Crippen Calculated Property | |
| McVol | 97.970 | ml/mol | McGowan Calculated Property |
| NFPA Fire | 2 | KDB | |
| NFPA Health | 2 | KDB | |
| NFPA Safety | 1 | KDB | |
| Pc | 3925.85 | kPa | Joback Calculated Property |
| Inp | [977.90; 1023.00] |
|
|
| Inp | 1015.00 | NIST | |
| Inp | 977.90 | NIST | |
| Inp | Outlier 1023.00 | NIST | |
| Inp | 985.60 | NIST | |
| Inp | 1002.00 | NIST | |
| Inp | 1008.00 | NIST | |
| Inp | 986.00 | NIST | |
| Inp | 996.00 | NIST | |
| Inp | 997.00 | NIST | |
| Inp | 986.00 | NIST | |
| Inp | 986.00 | NIST | |
| Inp | 986.00 | NIST | |
| Inp | 986.00 | NIST | |
| Inp | 983.00 | NIST | |
| I | [1478.00; 1497.00] |
|
|
| I | 1478.00 | NIST | |
| I | 1497.00 | NIST | |
| I | 1478.00 | NIST | |
| Tboil | 452.15 | K | KDB |
| Tc | 643.33 | K | Joback Calculated Property |
| Tfus | [225.30; 233.95] | K |
|
| Tfus | 233.95 | K | KDB |
| Tfus | 229.48 | K | Aq. Sol... |
| Tfus | 233.95 ± 0.30 | K | NIST |
| Tfus | 233.45 ± 0.40 | K | NIST |
| Tfus | 225.30 ± 0.50 | K | NIST |
| Vc | 0.368 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [163.08; 218.66] | J/mol×K | [423.67; 643.33] |
|
| Cp,gas | 163.08 | J/mol×K | 423.67 | Joback Calculated Property |
| Cp,gas | 173.99 | J/mol×K | 460.28 | Joback Calculated Property |
| Cp,gas | 184.20 | J/mol×K | 496.89 | Joback Calculated Property |
| Cp,gas | 193.74 | J/mol×K | 533.50 | Joback Calculated Property |
| Cp,gas | 202.64 | J/mol×K | 570.11 | Joback Calculated Property |
| Cp,gas | 210.94 | J/mol×K | 606.72 | Joback Calculated Property |
| Cp,gas | 218.66 | J/mol×K | 643.33 | Joback Calculated Property |
| Cp,liquid | 182.40 | J/mol×K | 298.50 | NIST |
| η | [0.0002746; 0.0031741] | Pa×s | [224.99; 423.67] |
|
| η | 0.0031741 | Pa×s | 224.99 | Joback Calculated Property |
| η | 0.0016248 | Pa×s | 258.10 | Joback Calculated Property |
| η | 0.0009686 | Pa×s | 291.22 | Joback Calculated Property |
| η | 0.0006417 | Pa×s | 324.33 | Joback Calculated Property |
| η | 0.0004588 | Pa×s | 357.44 | Joback Calculated Property |
| η | 0.0003473 | Pa×s | 390.56 | Joback Calculated Property |
| η | 0.0002746 | Pa×s | 423.67 | Joback Calculated Property |
| ΔfusH | 8.74 | kJ/mol | 230.00 | NIST |
| ΔvapH | [48.60; 48.60] | kJ/mol | [355.00; 374.00] |
|
| ΔvapH | 48.60 | kJ/mol | 355.00 | NIST |
| ΔvapH | 48.60 | kJ/mol | 374.00 | NIST |
| ρl | 1094.82 | kg/m3 | 298.15 | Excess ... |
Correlations
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Pvap | [1.33; 202.66] | kPa | [332.04; 482.07] |
The Yaw...
|
| Equation | ln(Pvp) = A + B/(T + C) | |||
| Coefficient A | 1.41881e+01 | |||
| Coefficient B | -3.68477e+03 | |||
| Coefficient C | -6.69590e+01 | |||
| Temperature range, min. | 332.04 | |||
| Temperature range, max. | 482.07 | |||
| Pvap | 1.33 | kPa | 332.04 | Calculated Property |
| Pvap | 3.03 | kPa | 348.71 | Calculated Property |
| Pvap | 6.30 | kPa | 365.38 | Calculated Property |
| Pvap | 12.11 | kPa | 382.05 | Calculated Property |
| Pvap | 21.79 | kPa | 398.72 | Calculated Property |
| Pvap | 37.07 | kPa | 415.39 | Calculated Property |
| Pvap | 60.08 | kPa | 432.06 | Calculated Property |
| Pvap | 93.35 | kPa | 448.73 | Calculated Property |
| Pvap | 139.79 | kPa | 465.40 | Calculated Property |
| Pvap | 202.66 | kPa | 482.07 | Calculated Property |
| Pvap | [7.17e-04; 3776.09] | kPa | [234.15; 686.00] |
KDB Vap...
|
| Equation | ln(Pvp) = A + B/T + C*ln(T) + D*T^2 | |||
| Coefficient A | 4.79326e+01 | |||
| Coefficient B | -7.14622e+03 | |||
| Coefficient C | -4.52442e+00 | |||
| Coefficient D | 5.72779e-07 | |||
| Temperature range, min. | 234.15 | |||
| Temperature range, max. | 686.00 | |||
| Pvap | 7.17e-04 | kPa | 234.15 | Calculated Property |
| Pvap | 0.07 | kPa | 284.36 | Calculated Property |
| Pvap | 1.40 | kPa | 334.56 | Calculated Property |
| Pvap | 12.33 | kPa | 384.77 | Calculated Property |
| Pvap | 61.85 | kPa | 434.97 | Calculated Property |
| Pvap | 212.08 | kPa | 485.18 | Calculated Property |
| Pvap | 556.70 | kPa | 535.38 | Calculated Property |
| Pvap | 1203.63 | kPa | 585.59 | Calculated Property |
| Pvap | 2252.29 | kPa | 635.79 | Calculated Property |
| Pvap | 3776.09 | kPa | 686.00 | Calculated Property |
Similar Compounds
Find more compounds similar to Benzyl chloride.
Mixtures
- Benzene, chloro- + Benzyl chloride
- Toluene + Benzyl chloride
- Ethylbenzene + Benzyl chloride
- Benzene, propyl- + Benzyl chloride
- Benzene, n-butyl- + Benzyl chloride
- Tetradecanoic acid + Benzyl chloride
- n-Hexadecanoic acid + Benzyl chloride
- Dodecanoic acid + Benzyl chloride
- Octadecanoic acid + Benzyl chloride
- Oleic Acid + Benzyl chloride
- 9,12-Octadecadienoic acid (Z,Z)- + Benzyl chloride
- Benzyl chloride + Water
Sources
- KDB Pure (Korean Thermophysical Properties Databank)
- KDB Vapor Pressure Data
- Crippen Method
- Activity coefficient at infinite dilution measurements for organic solutes (polar and non-polar) in fatty compounds: Saturated fatty acids
- Activity coefficient at infinite dilution measurements for organic solutes (polar and non-polar) in fatty compounds Part II: C18 fatty acids
- Determination of Henry's Law Constants Using Internal Standards with Benchmark Values
- Excess Enthalpies of Chloroalkylbenzene + Alkylbenzene Mixtures
- Joback Method
- KDB
- Aqueous Solubility Prediction Method
- Estimated Solubility Method
- McGowan Method
- NIST Webbook
- The Yaws Handbook of Vapor Pressure
Note: Cheméo is only indexing the data, follow the source links to retrieve the latest data. The source is also providing more information like the publication year, authors and more.
Take the time to validate and double check the source of the data.
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that the value is more than 2 standard deviations away from the
property mean.