- InChI
- InChI=1S/C4H7ClO/c1-4(3-5)6-2/h3H,1-2H3/b4-3+
- InChI Key
- AHLTYTZNLLPVFE-ONEGZZNKSA-N
- Formula
- C4H7ClO
- SMILES
- COC(C)=CCl
- Molecular Weight1
- 106.55
- 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).
- Inp : Non-polar retention indices.
- I : 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 | 0.2784 | Relay (... Calculated Property | |
| ΔfG° | -62.46 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -206.84 | kJ/mol | Relay (... Calculated Property |
| ΔfusH° | 10.39 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 36.19 | kJ/mol | Relay (... Calculated Property |
| IE | 8.50 | eV | Relay (... Calculated Property |
| log10WS | -1.45 | Relay (... Calculated Property | |
| logPoct/wat | 1.733 | Crippen Calculated Property | |
| McVol | 81.030 | ml/mol | McGowan Calculated Property |
| Pc | 3911.14 | kPa | Joback Calculated Property |
| Inp | [798.80; 798.80] |
|
|
| Inp | 798.80 | NIST | |
| Inp | 798.80 | NIST | |
| I | [989.50; 989.50] |
|
|
| I | 989.50 | NIST | |
| I | 989.50 | NIST | |
| Tboil | 378.24 | K | Relay (... Calculated Property |
| Tc | 553.22 | K | Relay (... Calculated Property |
| Tfus | 198.29 | K | Relay (... Calculated Property |
| Vc | 0.287 | m3/kmol | Relay (... Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [124.96; 162.72] | J/mol×K | [354.81; 541.79] |
|
| Cp,gas | 124.96 | J/mol×K | 354.81 | Joback Calculated Property |
| Cp,gas | 131.92 | J/mol×K | 385.97 | Joback Calculated Property |
| Cp,gas | 138.61 | J/mol×K | 417.14 | Joback Calculated Property |
| Cp,gas | 145.02 | J/mol×K | 448.30 | Joback Calculated Property |
| Cp,gas | 151.18 | J/mol×K | 479.47 | Joback Calculated Property |
| Cp,gas | 157.07 | J/mol×K | 510.63 | Joback Calculated Property |
| Cp,gas | 162.72 | J/mol×K | 541.79 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to E-1-Chloro-3-methoxy-2-methyl-propene.
Sources
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