- InChI
- InChI=1S/C7H7ClO/c8-7-4-2-1-3-6(7)5-9/h1-4,9H,5H2
- InChI Key
- MBYQPPXEXWRMQC-UHFFFAOYSA-N
- Formula
- C7H7ClO
- SMILES
- OCc1ccccc1Cl
- Molecular Weight1
- 142.59
- Other Names
-
- (2-Chloro-phenyl)-methanol
- 2-Chlorobenzyl alcohol
- Benzyl alcohol, o-chloro-
- o-Chlorobenzyl alcohol
- ortho-Chlorobenzyl alcohol
- 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).
- 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).
- Tboil : Normal Boiling Point Temperature (K).
- Tboilr : Boiling point at reduced pressure (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 |
|---|---|---|---|
| ω | 0.5634 | Relay (1.0) Calculated Property | |
| ΔfG° | -37.91 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -147.51 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 15.82 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 74.40 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 8.90 | eV | Relay (1.0) Calculated Property |
| log10WS | -1.38 | Relay (1.0) Calculated Property | |
| logPoct/wat | 1.832 | Crippen Calculated Property | |
| McVol | 103.840 | ml/mol | McGowan Calculated Property |
| Pc | 4333.96 | kPa | Joback Calculated Property |
| Tboil | [500.20; 503.20] | K |
|
| Tboil | 500.20 | K | NIST |
| Tboil | 503.20 | K | NIST |
| Tc | 762.28 | K | Relay (1.0) Calculated Property |
| Tfus | 304.00 | K | Relay (1.0) Calculated Property |
| Vc | 0.361 | m3/kmol | Relay (1.0) Calculated Property |
Pressure Dependent Properties
| Property | Value | Unit | Pressure (kPa) | Source |
|---|---|---|---|---|
| Tboilr | 375.70 | K | 3.70 | NIST |
Correlations
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [125.18; 285.84] | 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 | -4.89900e+00 | |||
| Coefficient B | 5.71200e-01 | |||
| Coefficient C | -3.71960e-04 | |||
| Coefficient D | 9.15000e-08 | |||
| Coefficient E | 0.00000e+00 | |||
| Temperature range, min. | 273.00 | |||
| Temperature range, max. | 1000.00 | |||
| Cp,gas | 125.18 | J/mol×K | 273.00 | Calculated Property |
| Cp,gas | 154.68 | J/mol×K | 353.78 | Calculated Property |
| Cp,gas | 180.59 | J/mol×K | 434.56 | Calculated Property |
| Cp,gas | 203.20 | J/mol×K | 515.33 | Calculated Property |
| Cp,gas | 222.81 | J/mol×K | 596.11 | Calculated Property |
| Cp,gas | 239.69 | J/mol×K | 676.89 | Calculated Property |
| Cp,gas | 254.15 | J/mol×K | 757.67 | Calculated Property |
| Cp,gas | 266.47 | J/mol×K | 838.44 | Calculated Property |
| Cp,gas | 276.94 | J/mol×K | 919.22 | Calculated Property |
| Cp,gas | 285.84 | J/mol×K | 1000.00 | Calculated Property |
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| η | [0.0085009; 0.0001639] | Pa×s | [298.33; 509.43] |
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 | -1.42961e+01 | |||
| Coefficient B | 2.84263e+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. | 298.33 | |||
| Temperature range, max. | 509.43 | |||
| η | 0.0085009 | Pa×s | 298.33 | Calculated Property |
| η | 0.0042445 | Pa×s | 321.79 | Calculated Property |
| η | 0.0023290 | Pa×s | 345.24 | Calculated Property |
| η | 0.0013794 | Pa×s | 368.70 | Calculated Property |
| η | 0.0008698 | Pa×s | 392.15 | Calculated Property |
| η | 0.0005777 | Pa×s | 415.61 | Calculated Property |
| η | 0.0004009 | Pa×s | 439.06 | Calculated Property |
| η | 0.0002887 | Pa×s | 462.52 | Calculated Property |
| η | 0.0002146 | Pa×s | 485.98 | Calculated Property |
| η | 0.0001639 | Pa×s | 509.43 | Calculated Property |
Similar Compounds
Find more compounds similar to Benzenemethanol, 2-chloro-.
Sources
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