- InChI
- InChI=1S/C5H9ClO2/c1-4(6)3-8-5(2)7/h4H,3H2,1-2H3
- InChI Key
- DXCQFTYOBQILML-UHFFFAOYSA-N
- Formula
- C5H9ClO2
- SMILES
- CC(=O)OCC(C)Cl
- Molecular Weight1
- 136.58
- 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).
- 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 | 0.4085 | Relay (1.0) Calculated Property | |
| ΔfG° | -333.52 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -513.08 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 13.75 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 48.22 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 10.31 | eV | Relay (1.0) Calculated Property |
| log10WS | -1.04 | Relay (1.0) Calculated Property | |
| logPoct/wat | 1.177 | Crippen Calculated Property | |
| McVol | 100.990 | ml/mol | McGowan Calculated Property |
| Pc | 3372.36 | kPa | Joback Calculated Property |
| Inp | [831.00; 864.00] |
|
|
| Inp | 835.00 | NIST | |
| Inp | 848.00 | NIST | |
| Inp | 835.00 | NIST | |
| Inp | 831.00 | NIST | |
| Inp | 864.00 | NIST | |
| Inp | 848.00 | NIST | |
| I | [1283.00; 1304.00] |
|
|
| I | 1283.00 | NIST | |
| I | 1289.00 | NIST | |
| I | 1296.00 | NIST | |
| I | 1304.00 | NIST | |
| I | 1283.00 | NIST | |
| Tboil | 426.86 | K | Relay (1.0) Calculated Property |
| Tc | 604.40 | K | Relay (1.0) Calculated Property |
| Tfus | 219.94 | K | Relay (1.0) Calculated Property |
| Vc | 0.374 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [183.99; 232.19] | J/mol×K | [409.21; 595.72] |
|
| Cp,gas | 183.99 | J/mol×K | 409.21 | Joback Calculated Property |
| Cp,gas | 192.88 | J/mol×K | 440.29 | Joback Calculated Property |
| Cp,gas | 201.43 | J/mol×K | 471.38 | Joback Calculated Property |
| Cp,gas | 209.63 | J/mol×K | 502.46 | Joback Calculated Property |
| Cp,gas | 217.49 | J/mol×K | 533.55 | Joback Calculated Property |
| Cp,gas | 225.01 | J/mol×K | 564.63 | Joback Calculated Property |
| Cp,gas | 232.19 | J/mol×K | 595.72 | Joback Calculated Property |
| η | [0.0002909; 0.0088387] | Pa×s | [203.36; 409.21] |
|
| η | 0.0088387 | Pa×s | 203.36 | Joback Calculated Property |
| η | 0.0033184 | Pa×s | 237.67 | Joback Calculated Property |
| η | 0.0015952 | Pa×s | 271.98 | Joback Calculated Property |
| η | 0.0009036 | Pa×s | 306.28 | Joback Calculated Property |
| η | 0.0005739 | Pa×s | 340.59 | Joback Calculated Property |
| η | 0.0003961 | Pa×s | 374.90 | Joback Calculated Property |
| η | 0.0002909 | Pa×s | 409.21 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to 1-Propanol, 2-chloro, acetate.
Sources
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