- InChI
- InChI=1S/C8H7ClO2/c9-8(10)11-6-7-4-2-1-3-5-7/h1-5H,6H2
- InChI Key
- HSDAJNMJOMSNEV-UHFFFAOYSA-N
- Formula
- C8H7ClO2
- SMILES
- O=C(Cl)OCc1ccccc1
- Molecular Weight1
- 170.59
- CAS
- 501-53-1
- Other Names
-
- Cbz chloride
- Carbobenzoxy chloride
- Carbonochloridic acid, phenylmethyl ester
- Benzyl carbonochloridate
- Benzyl chlorocarbonate
- Benzyloxycarbonyl chloride
- Carbobenzyloxy chloride
- Chloroformic acid, benzyl ester
- Formic acid, chloro-, benzyl ester
- BZCF
- UN 1739
- Benzylcarbonyl chloride
- Chloroformic acid, phenylmethyl ester
- NSC 83466
- 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).
- 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 |
|---|---|---|---|
| ΔfG° | -116.96 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -232.46 | kJ/mol | Joback Calculated Property |
| ΔfH°liquid | -376.20 ± 1.10 | kJ/mol | NIST |
| ΔfusH° | 17.50 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 38.50 ± 0.10 | kJ/mol | NIST |
| log10WS | -2.76 | Crippen Calculated Property | |
| logPoct/wat | 2.562 | Crippen Calculated Property | |
| McVol | 119.500 | ml/mol | McGowan Calculated Property |
| Pc | 3690.97 | kPa | Joback Calculated Property |
| Tboil | 522.84 | K | Joback Calculated Property |
| Tc | 747.81 | K | Joback Calculated Property |
| Tfus | 308.42 | K | Joback Calculated Property |
| Vc | 0.449 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [238.13; 292.99] | J/mol×K | [522.84; 747.81] | 
|
| Cp,gas | 238.13 | J/mol×K | 522.84 | Joback Calculated Property |
| Cp,gas | 248.91 | J/mol×K | 560.34 | Joback Calculated Property |
| Cp,gas | 259.02 | J/mol×K | 597.83 | Joback Calculated Property |
| Cp,gas | 268.46 | J/mol×K | 635.33 | Joback Calculated Property |
| Cp,gas | 277.26 | J/mol×K | 672.82 | Joback Calculated Property |
| Cp,gas | 285.43 | J/mol×K | 710.32 | Joback Calculated Property |
| Cp,gas | 292.99 | J/mol×K | 747.81 | Joback Calculated Property |
| η | [0.0002537; 0.0022365] | Pa×s | [308.42; 522.84] |
|
| η | 0.0022365 | Pa×s | 308.42 | Joback Calculated Property |
| η | 0.0012890 | Pa×s | 344.16 | Joback Calculated Property |
| η | 0.0008240 | Pa×s | 379.89 | Joback Calculated Property |
| η | 0.0005689 | Pa×s | 415.63 | Joback Calculated Property |
| η | 0.0004165 | Pa×s | 451.37 | Joback Calculated Property |
| η | 0.0003192 | Pa×s | 487.10 | Joback Calculated Property |
| η | 0.0002537 | Pa×s | 522.84 | Joback Calculated Property |
Pressure Dependent Properties
| Property | Value | Unit | Pressure (kPa) | Source |
|---|---|---|---|---|
| Tboilr | 376.20 | K | 2.70 | NIST |
Similar Compounds
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)
Find more compounds similar to Benzyl chloroformate.
Sources
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