- 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 |
Correlations
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [140.98; 294.20] | J/mol×K | [273.00; 1000.00] |
Joback Predicted correlation
|
| Equation | Y = A + B·T + C·T² + D·T³ + E·T⁴ Y is Cp,gas in J/mol×K, T in K | |||
| Coefficient A | 3.49610e+01 | |||
| Coefficient B | 4.36740e-01 | |||
| Coefficient C | -1.77200e-04 | |||
| Coefficient D | -3.00000e-10 | |||
| Coefficient E | 0.00000e+00 | |||
| Temperature range, min. | 273.00 | |||
| Temperature range, max. | 1000.00 | |||
| Cp,gas | 140.98 | J/mol×K | 273.00 | Calculated Property |
| Cp,gas | 167.28 | J/mol×K | 353.78 | Calculated Property |
| Cp,gas | 191.26 | J/mol×K | 434.56 | Calculated Property |
| Cp,gas | 212.93 | J/mol×K | 515.33 | Calculated Property |
| Cp,gas | 232.28 | J/mol×K | 596.11 | Calculated Property |
| Cp,gas | 249.30 | J/mol×K | 676.89 | Calculated Property |
| Cp,gas | 264.01 | J/mol×K | 757.67 | Calculated Property |
| Cp,gas | 276.40 | J/mol×K | 838.44 | Calculated Property |
| Cp,gas | 286.46 | J/mol×K | 919.22 | Calculated Property |
| Cp,gas | 294.20 | J/mol×K | 1000.00 | Calculated Property |
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| η | [0.0088387; 0.0002731] | Pa×s | [203.36; 417.00] |
Joback Predicted correlation
|
| Equation | Y = exp(A + B/T + C·ln(T) + D·T^E) Y is η in Pa×s, T in K | |||
| Coefficient A | -1.15151e+01 | |||
| Coefficient B | 1.38010e+03 | |||
| Coefficient C | 0.00000e+00 | |||
| Coefficient D | 0.00000e+00 | |||
| Coefficient E | 0.00000e+00 | |||
| Temperature range, min. | 203.36 | |||
| Temperature range, max. | 417.00 | |||
| η | 0.0088387 | Pa×s | 203.36 | Calculated Property |
| η | 0.0043482 | Pa×s | 227.10 | Calculated Property |
| η | 0.0024465 | Pa×s | 250.84 | Calculated Property |
| η | 0.0015204 | Pa×s | 274.57 | Calculated Property |
| η | 0.0010192 | Pa×s | 298.31 | Calculated Property |
| η | 0.0007247 | Pa×s | 322.05 | Calculated Property |
| η | 0.0005400 | Pa×s | 345.79 | Calculated Property |
| η | 0.0004179 | Pa×s | 369.53 | Calculated Property |
| η | 0.0003335 | Pa×s | 393.27 | Calculated Property |
| η | 0.0002731 | Pa×s | 417.00 | Calculated Property |
Similar Compounds
Find more compounds similar to 1-Propanol, 2-chloro, acetate.
Sources
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