- InChI
- InChI=1S/C3H7ClO/c1-3(5)2-4/h3,5H,2H2,1H3
- InChI Key
- YYTSGNJTASLUOY-UHFFFAOYSA-N
- Formula
- C3H7ClO
- SMILES
- CC(O)CCl
- Molecular Weight1
- 94.54
- Other Names
-
- 1-Chloro-2-hydroxypropane
- 1-Chloroisopropyl alcohol
- 1-chloro-2-propanol
- 1-chloropropan-2-ol
- Chloroisopropyl alcohol
- NSC 77373
- Propene chlorohydrin
- propylene chlorohydrin
- sec-Propylene chlorohydrin
- «alpha»-Propylene chlorohydrin
- 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).
- ΔvapH : Enthalpy of vaporization at a given temperature (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).
- n0 : Refractive Index.
- Inp : Non-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 | 0.5282 | Relay (1.0) Calculated Property | |
| ΔfG° | -176.81 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -341.92 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 8.29 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 50.37 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 10.61 | eV | Relay (1.0) Calculated Property |
| log10WS | 0.38 | Relay (1.0) Calculated Property | |
| logPoct/wat | 0.606 | Crippen Calculated Property | |
| McVol | 71.240 | ml/mol | McGowan Calculated Property |
| Pc | 4802.50 | kPa | Joback Calculated Property |
| Inp | [703.00; 703.00] |
|
|
| Inp | 703.00 | NIST | |
| Inp | 703.00 | NIST | |
| Tboil | 399.70 | K | NIST |
| Tc | 594.38 | K | Relay (1.0) Calculated Property |
| Tfus | 201.26 | K | Relay (1.0) Calculated Property |
| Vc | 0.259 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| ΔvapH | [42.20; 45.00] | kJ/mol | [353.50; 353.50] |
|
| ΔvapH | 45.00 ± 2.20 | kJ/mol | 353.50 | NIST |
| ΔvapH | 42.20 ± 1.90 | kJ/mol | 353.50 | NIST |
| n0 | 1.43770 | 293.10 | Vapor-Liquid Equilibria of Selected Components in Propylene Oxide Production |
Correlations
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [94.71; 201.58] | 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 | 1.66610e+01 | |||
| Coefficient B | 3.35520e-01 | |||
| Coefficient C | -1.93400e-04 | |||
| Coefficient D | 4.28000e-08 | |||
| Coefficient E | 0.00000e+00 | |||
| Temperature range, min. | 273.00 | |||
| Temperature range, max. | 1000.00 | |||
| Cp,gas | 94.71 | J/mol×K | 273.00 | Calculated Property |
| Cp,gas | 113.05 | J/mol×K | 353.78 | Calculated Property |
| Cp,gas | 129.45 | J/mol×K | 434.56 | Calculated Property |
| Cp,gas | 144.06 | J/mol×K | 515.33 | Calculated Property |
| Cp,gas | 157.01 | J/mol×K | 596.11 | Calculated Property |
| Cp,gas | 168.43 | J/mol×K | 676.89 | Calculated Property |
| Cp,gas | 178.47 | J/mol×K | 757.67 | Calculated Property |
| Cp,gas | 187.24 | J/mol×K | 838.44 | Calculated Property |
| Cp,gas | 194.90 | J/mol×K | 919.22 | Calculated Property |
| Cp,gas | 201.58 | J/mol×K | 1000.00 | Calculated Property |
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| η | [0.2012782; 0.0003520] | Pa×s | [199.31; 400.07] |
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 | -1.42550e+01 | |||
| Coefficient B | 2.52165e+03 | |||
| Coefficient C | 0.00000e+00 | |||
| Coefficient D | 0.00000e+00 | |||
| Coefficient E | 0.00000e+00 | |||
| Comment | Liquid phase. Joback/Reid (1987), valid from Tf to 0.7·Tc. | |||
| Temperature range, min. | 199.31 | |||
| Temperature range, max. | 400.07 | |||
| η | 0.2012782 | Pa×s | 199.31 | Calculated Property |
| η | 0.0563311 | Pa×s | 221.62 | Calculated Property |
| η | 0.0198999 | Pa×s | 243.92 | Calculated Property |
| η | 0.0083691 | Pa×s | 266.23 | Calculated Property |
| η | 0.0040241 | Pa×s | 288.53 | Calculated Property |
| η | 0.0021493 | Pa×s | 310.84 | Calculated Property |
| η | 0.0012485 | Pa×s | 333.15 | Calculated Property |
| η | 0.0007764 | Pa×s | 355.45 | Calculated Property |
| η | 0.0005107 | Pa×s | 377.76 | Calculated Property |
| η | 0.0003520 | Pa×s | 400.07 | Calculated Property |
Similar Compounds
Find more compounds similar to 2-Propanol, 1-chloro-.
Mixtures
Sources
- Cheméo Relay (1.0)
- Crippen Method
- Crippen Method
- Vapor-Liquid Equilibria of Selected Components in Propylene Oxide Production
- Joback Method
- McGowan Method
- NIST Webbook
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