- InChI
- InChI=1S/C8H7ClO2/c9-5-6-2-1-3-7(4-6)8(10)11/h1-4H,5H2,(H,10,11)
- InChI Key
- PBSUMBYSVFTMNG-UHFFFAOYSA-N
- Formula
- C8H7ClO2
- SMILES
- O=C(O)c1cccc(CCl)c1
- Molecular Weight1
- 170.59
- CAS
- 31719-77-4
- 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).
- 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 | 0.6871 | Relay (1.0) Calculated Property | |
| ΔfG° | -236.58 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -361.71 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 24.47 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 92.73 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 9.59 | eV | Relay (1.0) Calculated Property |
| log10WS | -2.55 | Relay (1.0) Calculated Property | |
| logPoct/wat | 2.124 | Crippen Calculated Property | |
| McVol | 119.500 | ml/mol | McGowan Calculated Property |
| Pc | 3819.82 | kPa | Joback Calculated Property |
| Tboil | 563.76 | K | Relay (1.0) Calculated Property |
| Tc | 822.67 | K | Relay (1.0) Calculated Property |
| Tfus | 400.77 | K | Relay (1.0) Calculated Property |
| Vc | 0.419 | m3/kmol | Relay (1.0) Calculated Property |
Correlations
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [147.51; 329.54] | 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 | -6.49900e+00 | |||
| Coefficient B | 6.83000e-01 | |||
| Coefficient C | -4.68560e-04 | |||
| Coefficient D | 1.21600e-07 | |||
| Coefficient E | 0.00000e+00 | |||
| Temperature range, min. | 273.00 | |||
| Temperature range, max. | 1000.00 | |||
| Cp,gas | 147.51 | J/mol×K | 273.00 | Calculated Property |
| Cp,gas | 181.87 | J/mol×K | 353.78 | Calculated Property |
| Cp,gas | 211.80 | J/mol×K | 434.56 | Calculated Property |
| Cp,gas | 237.68 | J/mol×K | 515.33 | Calculated Property |
| Cp,gas | 259.90 | J/mol×K | 596.11 | Calculated Property |
| Cp,gas | 278.84 | J/mol×K | 676.89 | Calculated Property |
| Cp,gas | 294.90 | J/mol×K | 757.67 | Calculated Property |
| Cp,gas | 308.44 | J/mol×K | 838.44 | Calculated Property |
| Cp,gas | 319.86 | J/mol×K | 919.22 | Calculated Property |
| Cp,gas | 329.54 | J/mol×K | 1000.00 | Calculated Property |
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| η | [0.0011293; 0.0002688] | Pa×s | [409.38; 581.39] |
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 | -1.16377e+01 | |||
| Coefficient B | 1.98614e+03 | |||
| Coefficient C | 0.00000e+00 | |||
| Coefficient D | 0.00000e+00 | |||
| Coefficient E | 0.00000e+00 | |||
| Temperature range, min. | 409.38 | |||
| Temperature range, max. | 581.39 | |||
| η | 0.0011293 | Pa×s | 409.38 | Calculated Property |
| η | 0.0009096 | Pa×s | 428.49 | Calculated Property |
| η | 0.0007463 | Pa×s | 447.60 | Calculated Property |
| η | 0.0006223 | Pa×s | 466.72 | Calculated Property |
| η | 0.0005263 | Pa×s | 485.83 | Calculated Property |
| η | 0.0004509 | Pa×s | 504.94 | Calculated Property |
| η | 0.0003906 | Pa×s | 524.05 | Calculated Property |
| η | 0.0003419 | Pa×s | 543.16 | Calculated Property |
| η | 0.0003019 | Pa×s | 562.27 | Calculated Property |
| η | 0.0002688 | Pa×s | 581.39 | Calculated Property |
Similar Compounds
Find more compounds similar to C8H7ClO2.
Sources
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