- InChI
- InChI=1S/C3H5Cl2NO2/c1-2-8-3(7)6(4)5/h2H2,1H3
- InChI Key
- PCGGNOFZZFFFLU-UHFFFAOYSA-N
- Formula
- C3H5Cl2NO2
- SMILES
- CCOC(=O)N(Cl)Cl
- Molecular Weight1
- 157.98
- CAS
- 13698-16-3
- Other Names
-
- Carbamic acid, dichloro-, ethyl ester
- ω : Acentric Factor.
- Cp,gas : Ideal gas heat capacity (J/mol×K).
- 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 | 0.3977 | Relay (1.0) Calculated Property | |
| ΔfG° | -172.62 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -253.67 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 17.73 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 48.25 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 10.04 | eV | Relay (1.0) Calculated Property |
| log10WS | -1.85 | Relay (1.0) Calculated Property | |
| logPoct/wat | 1.753 | Crippen Calculated Property | |
| McVol | 95.030 | ml/mol | McGowan Calculated Property |
| Pc | 4238.55 | kPa | Joback Calculated Property |
| Tboil | 422.13 | K | Relay (1.0) Calculated Property |
| Tc | 627.81 | K | Relay (1.0) Calculated Property |
| Tfus | 252.92 | K | Relay (1.0) Calculated Property |
| Vc | 0.364 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [163.66; 197.92] | J/mol×K | [431.63; 626.00] | 
|
| Cp,gas | 163.66 | J/mol×K | 431.63 | Joback Calculated Property |
| Cp,gas | 170.10 | J/mol×K | 464.03 | Joback Calculated Property |
| Cp,gas | 176.24 | J/mol×K | 496.42 | Joback Calculated Property |
| Cp,gas | 182.09 | J/mol×K | 528.82 | Joback Calculated Property |
| Cp,gas | 187.65 | J/mol×K | 561.21 | Joback Calculated Property |
| Cp,gas | 192.93 | J/mol×K | 593.61 | Joback Calculated Property |
| Cp,gas | 197.92 | J/mol×K | 626.00 | Joback Calculated Property |
Pressure Dependent Properties
| Property | Value | Unit | Pressure (kPa) | Source |
|---|---|---|---|---|
| Tboilr | 328.70 | K | 2.00 | NIST |
Similar Compounds
Find more compounds similar to N,N-Dichlorourethan.
Sources
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