- InChI
- InChI=1S/C5H9ClO2/c1-5(7)8-4-2-3-6/h2-4H2,1H3
- InChI Key
- KPOHQIPNNIMWRL-UHFFFAOYSA-N
- Formula
- C5H9ClO2
- SMILES
- CC(=O)OCCCCl
- Molecular Weight1
- 136.58
- CAS
- 628-09-1
- Other Names
-
- «gamma»-Chloropropyl acetate
- 3-Chloropropyl acetate
- 3-Chloropropanol acetate
- 3-Chlorprop-1-ylacetat
- 1-Propanol, 3-chloro-, 1-acetate
- 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.
- I : Polar retention indices.
- 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 | 0.4446 | Relay (1.0) Calculated Property | |
| ΔfG° | -254.63 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -494.58 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 15.69 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 48.34 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 10.21 | eV | Relay (1.0) Calculated Property |
| log10WS | -0.93 | Relay (1.0) Calculated Property | |
| logPoct/wat | 1.178 | Crippen Calculated Property | |
| McVol | 100.990 | ml/mol | McGowan Calculated Property |
| Pc | 3505.43 | kPa | Joback Calculated Property |
| Inp | [895.00; 924.00] |
|
|
| Inp | 902.00 | NIST | |
| Inp | 916.00 | NIST | |
| Inp | 902.00 | NIST | |
| Inp | 895.00 | NIST | |
| Inp | 924.00 | NIST | |
| Inp | 916.00 | NIST | |
| Inp | 922.00 | NIST | |
| Inp | 902.00 | NIST | |
| Inp | 916.00 | NIST | |
| I | [1414.00; 1425.00] |
|
|
| I | 1414.00 | NIST | |
| I | 1419.00 | NIST | |
| I | 1418.00 | NIST | |
| I | 1425.00 | NIST | |
| I | 1414.00 | NIST | |
| Tboil | 438.66 | K | Relay (1.0) Calculated Property |
| Tc | 619.57 | K | Relay (1.0) Calculated Property |
| Tfus | 202.23 | K | Relay (1.0) Calculated Property |
| Vc | 0.368 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [186.82; 232.29] | J/mol×K | [427.52; 613.54] |
|
| Cp,gas | 186.82 | J/mol×K | 427.52 | Joback Calculated Property |
| Cp,gas | 195.11 | J/mol×K | 458.52 | Joback Calculated Property |
| Cp,gas | 203.12 | J/mol×K | 489.53 | Joback Calculated Property |
| Cp,gas | 210.84 | J/mol×K | 520.53 | Joback Calculated Property |
| Cp,gas | 218.28 | J/mol×K | 551.53 | Joback Calculated Property |
| Cp,gas | 225.43 | J/mol×K | 582.53 | Joback Calculated Property |
| Cp,gas | 232.29 | J/mol×K | 613.54 | Joback Calculated Property |
| η | [0.0003154; 0.0029404] | Pa×s | [248.19; 427.52] |
|
| η | 0.0029404 | Pa×s | 248.19 | Joback Calculated Property |
| η | 0.0016595 | Pa×s | 278.08 | Joback Calculated Property |
| η | 0.0010466 | Pa×s | 307.97 | Joback Calculated Property |
| η | 0.0007162 | Pa×s | 337.86 | Joback Calculated Property |
| η | 0.0005212 | Pa×s | 367.74 | Joback Calculated Property |
| η | 0.0003979 | Pa×s | 397.63 | Joback Calculated Property |
| η | 0.0003154 | Pa×s | 427.52 | Joback Calculated Property |
Pressure Dependent Properties
| Property | Value | Unit | Pressure (kPa) | Source |
|---|---|---|---|---|
| Tboilr | 353.70 | K | 4.00 | NIST |
Similar Compounds
Find more compounds similar to 1-Propanol, 3-chloro-, acetate.
Sources
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