- InChI
- InChI=1S/C7H5ClO/c8-7-4-2-1-3-6(7)5-9/h1-5H
- InChI Key
- FPYUJUBAXZAQNL-UHFFFAOYSA-N
- Formula
- C7H5ClO
- SMILES
- O=Cc1ccccc1Cl
- Molecular Weight1
- 140.57
- CAS
- 89-98-5
- Other Names
-
- 2-Chlorbenzaldehyd
- 2-Chlorobenzaldehyde
- 2-Clorobenzaldeide
- Benzaldehyde, o-chloro-
- NSC 15347
- USAF M-7
- o-Chloorbenzaldehyde
- o-Chlorobenzaldehyde
- o-Chlorobenzenecarboxaldehyde
- o-Chloroformylbenzene
- ω : Acentric Factor.
- ΔcH°liquid : Standard liquid enthalpy of combustion (kJ/mol).
- 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).
- ΔfH°liquid : Liquid phase 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).
- Inp : Non-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 |
|---|---|---|---|
| ω | 0.3751 | Relay (1.0) Calculated Property | |
| ΔcH°liquid | [-3374.40; -3372.00] | kJ/mol |
|
| ΔcH°liquid | -3372.00 | kJ/mol | NIST |
| ΔcH°liquid | -3374.40 ± 8.40 | kJ/mol | NIST |
| ΔfG° | -0.61 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -85.93 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfH°liquid | -98.00 | kJ/mol | NIST |
| ΔfusH° | 14.02 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 55.61 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 9.46 | eV | Relay (1.0) Calculated Property |
| log10WS | -1.87 | Relay (1.0) Calculated Property | |
| logPoct/wat | 2.152 | Crippen Calculated Property | |
| McVol | 99.540 | ml/mol | McGowan Calculated Property |
| Pc | 4233.04 | kPa | Joback Calculated Property |
| Inp | [1105.00; 1131.00] |
|
|
| Inp | 1112.70 | NIST | |
| Inp | 1122.40 | NIST | |
| Inp | 1131.00 | NIST | |
| Inp | 1106.00 | NIST | |
| Inp | 1105.00 | NIST | |
| Inp | 1131.00 | NIST | |
| Inp | 1112.70 | NIST | |
| Tboil | [485.10; 485.19] | K |
|
| Tboil | 485.10 | K | NIST |
| Tboil | 485.19 ± 0.07 | K | NIST |
| Tc | 756.59 | K | Relay (1.0) Calculated Property |
| Tfus | [284.80; 285.30] | K |
|
| Tfus | 285.30 ± 0.02 | K | NIST |
| Tfus | 284.80 ± 0.05 | K | NIST |
| Vc | 0.358 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [177.93; 223.47] | J/mol×K | [477.51; 704.39] |
|
| Cp,gas | 177.93 | J/mol×K | 477.51 | Joback Calculated Property |
| Cp,gas | 186.95 | J/mol×K | 515.32 | Joback Calculated Property |
| Cp,gas | 195.36 | J/mol×K | 553.14 | Joback Calculated Property |
| Cp,gas | 203.19 | J/mol×K | 590.95 | Joback Calculated Property |
| Cp,gas | 210.47 | J/mol×K | 628.77 | Joback Calculated Property |
| Cp,gas | 217.22 | J/mol×K | 666.58 | Joback Calculated Property |
| Cp,gas | 223.47 | J/mol×K | 704.39 | Joback Calculated Property |
| η | [0.0003315; 0.0023338] | Pa×s | [279.51; 477.51] |
|
| η | 0.0023338 | Pa×s | 279.51 | Joback Calculated Property |
| η | 0.0014197 | Pa×s | 312.51 | Joback Calculated Property |
| η | 0.0009497 | Pa×s | 345.51 | Joback Calculated Property |
| η | 0.0006814 | Pa×s | 378.51 | Joback Calculated Property |
| η | 0.0005156 | Pa×s | 411.51 | Joback Calculated Property |
| η | 0.0004067 | Pa×s | 444.51 | Joback Calculated Property |
| η | 0.0003315 | Pa×s | 477.51 | Joback Calculated Property |
| ΔvapH | 49.80 | kJ/mol | 472.50 | NIST |
Correlations
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Pvap | [1.33; 202.64] | kPa | [361.64; 484.76] |
The Yaws Handbook of Vapor Pressure
|
| Equation | ln(Pvp) = A + B/(T + C) | |||
| Coefficient A | 1.70426e+01 | |||
| Coefficient B | -4.81693e+03 | |||
| Coefficient C | -7.41500e+01 | |||
| Temperature range, min. | 361.64 | |||
| Temperature range, max. | 484.76 | |||
| Pvap | 1.33 | kPa | 361.64 | Calculated Property |
| Pvap | 2.85 | kPa | 375.32 | Calculated Property |
| Pvap | 5.72 | kPa | 389.00 | Calculated Property |
| Pvap | 10.81 | kPa | 402.68 | Calculated Property |
| Pvap | 19.43 | kPa | 416.36 | Calculated Property |
| Pvap | 33.37 | kPa | 430.04 | Calculated Property |
| Pvap | 55.08 | kPa | 443.72 | Calculated Property |
| Pvap | 87.70 | kPa | 457.40 | Calculated Property |
| Pvap | 135.25 | kPa | 471.08 | Calculated Property |
| Pvap | 202.64 | kPa | 484.76 | Calculated Property |
Similar Compounds
Find more compounds similar to Benzaldehyde, 2-chloro-.
Sources
- Cheméo Relay (1.0)
- Crippen Method
- Crippen Method
- Joback Method
- McGowan Method
- NIST Webbook
- The Yaws Handbook of Vapor Pressure
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