- InChI
- InChI=1S/C2H3ClO2/c1-5-2(3)4/h1H3
- InChI Key
- XMJHPCRAQCTCFT-UHFFFAOYSA-N
- Formula
- C2H3ClO2
- SMILES
- COC(=O)Cl
- Molecular Weight1
- 94.50
- Other Names
-
- Chlorameisensaeure methylester
- Chlorocarbonate de methyle
- Chlorocarbonic acid, methyl ester
- Chloroformiate de methyle
- Chloroformic acid methyl ester
- Formic acid, chloro-, methyl ester
- MCF
- Methoxycarbonyl chloride
- Methyl chlorocarbonate
- Methylchloorformiaat
- Methylester kyseliny chlormravenci
- Methylester kyseliny chloruhlicite
- Metilcloroformiato
- Rcra waste number U156
- TL 438
- UN 1238
- 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).
- 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 | 0.3107 | Relay (1.0) Calculated Property | |
| ΔfG° | -356.34 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -408.67 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 9.50 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 28.19 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 11.09 | eV | Relay (1.0) Calculated Property |
| log10WS | -0.84 | Relay (1.0) Calculated Property | |
| logPoct/wat | 0.992 | Crippen Calculated Property | |
| McVol | 58.720 | ml/mol | McGowan Calculated Property |
| Pc | 4809.16 | kPa | Joback Calculated Property |
| Inp | [569.00; 582.00] |
|
|
| Inp | 582.00 | NIST | |
| Inp | 582.00 | NIST | |
| Inp | 569.00 | NIST | |
| Tboil | 343.70 | K | NIST |
| Tc | 500.80 | K | Relay (1.0) Calculated Property |
| Tfus | 212.15 | K | Jean-Claude Bradley Open Melting Point Dataset (2014, CC0) Compiled value |
| Vc | 0.220 | m3/kmol | Relay (1.0) Calculated Property |
Correlations
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [77.65; 138.89] | 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 | 3.93700e+01 | |||
| Coefficient B | 1.45820e-01 | |||
| Coefficient C | -1.08000e-05 | |||
| Coefficient D | -3.55000e-08 | |||
| Coefficient E | 0.00000e+00 | |||
| Temperature range, min. | 273.00 | |||
| Temperature range, max. | 1000.00 | |||
| Cp,gas | 77.65 | J/mol×K | 273.00 | Calculated Property |
| Cp,gas | 88.03 | J/mol×K | 353.78 | Calculated Property |
| Cp,gas | 97.78 | J/mol×K | 434.56 | Calculated Property |
| Cp,gas | 106.79 | J/mol×K | 515.33 | Calculated Property |
| Cp,gas | 114.94 | J/mol×K | 596.11 | Calculated Property |
| Cp,gas | 122.12 | J/mol×K | 676.89 | Calculated Property |
| Cp,gas | 128.21 | J/mol×K | 757.67 | Calculated Property |
| Cp,gas | 133.12 | J/mol×K | 838.44 | Calculated Property |
| Cp,gas | 136.71 | J/mol×K | 919.22 | Calculated Property |
| Cp,gas | 138.89 | J/mol×K | 1000.00 | Calculated Property |
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| η | [0.0021188; 0.0002557] | Pa×s | [212.15; 367.88] |
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 | -1.11524e+01 | |||
| Coefficient B | 1.05980e+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. | 212.15 | |||
| Temperature range, max. | 367.88 | |||
| η | 0.0021188 | Pa×s | 212.15 | Calculated Property |
| η | 0.0014537 | Pa×s | 229.45 | Calculated Property |
| η | 0.0010515 | Pa×s | 246.76 | Calculated Property |
| η | 0.0007936 | Pa×s | 264.06 | Calculated Property |
| η | 0.0006200 | Pa×s | 281.36 | Calculated Property |
| η | 0.0004985 | Pa×s | 298.67 | Calculated Property |
| η | 0.0004104 | Pa×s | 315.97 | Calculated Property |
| η | 0.0003448 | Pa×s | 333.27 | Calculated Property |
| η | 0.0002947 | Pa×s | 350.58 | Calculated Property |
| η | 0.0002557 | Pa×s | 367.88 | Calculated Property |
Similar Compounds
Find more compounds similar to Carbonochloridic acid, methyl ester.
Sources
- Jean-Claude Bradley Open Melting Point Dataset (2014, CC0) ChEDL chemicals 1.5.2, from Bradley, J.-C.; Williams, A.; Lang, A. Jean-Claude Bradley Open Melting Point Dataset. Figshare, 2014 (CC0).
- Cheméo Relay (1.0)
- Crippen Method
- Crippen Method
- Joback Method
- KDB
- McGowan Method
- NIST Webbook
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