- InChI
- InChI=1S/C9H6Cl5NO2/c1-15(2)9(16)17-8-6(13)4(11)3(10)5(12)7(8)14/h1-2H3
- InChI Key
- YYZZEEYCOSFSTR-UHFFFAOYSA-N
- Formula
- C9H6Cl5NO2
- SMILES
-
CN(C)C(=O)Oc1c(Cl)c(Cl)c(Cl)c(
Cl)c1Cl - Molecular Weight1
- 337.41
- CAS
- 90418-41-0
- 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).
- 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 |
|---|---|---|---|
| ΔfG° | -93.63 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -305.88 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 37.96 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 74.34 | kJ/mol | Joback Calculated Property |
| log10WS | -5.18 | Crippen Calculated Property | |
| logPoct/wat | 5.014 | Crippen Calculated Property | |
| McVol | 192.530 | ml/mol | McGowan Calculated Property |
| Pc | 2584.59 | kPa | Joback Calculated Property |
| Tboil | 732.78 | K | Joback Calculated Property |
| Tc | 967.85 | K | Joback Calculated Property |
| Tfus | 534.44 | K | Joback Calculated Property |
| Vc | 0.719 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [394.93; 433.33] | J/mol×K | [732.78; 967.85] | 
|
| Cp,gas | 394.93 | J/mol×K | 732.78 | Joback Calculated Property |
| Cp,gas | 402.93 | J/mol×K | 771.96 | Joback Calculated Property |
| Cp,gas | 410.28 | J/mol×K | 811.14 | Joback Calculated Property |
| Cp,gas | 416.99 | J/mol×K | 850.31 | Joback Calculated Property |
| Cp,gas | 423.07 | J/mol×K | 889.49 | Joback Calculated Property |
| Cp,gas | 428.51 | J/mol×K | 928.67 | Joback Calculated Property |
| Cp,gas | 433.33 | J/mol×K | 967.85 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Pentachlorophenyl dimethyl carbamate.
Sources
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