- InChI
- InChI=1S/C5H10Cl2O/c1-5(2-6,3-7)4-8/h8H,2-4H2,1H3
- InChI Key
- DOANJBQUOFJQHC-UHFFFAOYSA-N
- Formula
- C5H10Cl2O
- SMILES
- CC(CO)(CCl)CCl
- Molecular Weight1
- 157.04
- Other Names
-
- 1-Propanol, 3-chloro-2-(chloromethyl)-2-methyl-
- 3-chloro-2-(chloromethyl)-2-methylpropan-1-ol
- 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).
- 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 | 0.5858 | Relay (1.0) Calculated Property | |
| ΔfG° | -166.62 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -360.21 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 13.77 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 68.88 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 10.01 | eV | Relay (1.0) Calculated Property |
| log10WS | -1.40 | Relay (1.0) Calculated Property | |
| logPoct/wat | 1.463 | Crippen Calculated Property | |
| McVol | 111.660 | ml/mol | McGowan Calculated Property |
| Pc | 3624.61 | kPa | Joback Calculated Property |
| Tboil | 486.37 | K | Relay (1.0) Calculated Property |
| Tc | 713.98 | K | Relay (1.0) Calculated Property |
| Tfus | 340.13 | K | Relay (1.0) Calculated Property |
| Vc | 0.378 | m3/kmol | Relay (1.0) Calculated Property |
Pressure Dependent Properties
| Property | Value | Unit | Pressure (kPa) | Source |
|---|---|---|---|---|
| Tboilr | 376.70 | K | 1.60 | NIST |
Correlations
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [149.40; 313.96] | 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 | 4.94300e+00 | |||
| Coefficient B | 6.52220e-01 | |||
| Coefficient C | -4.91200e-04 | |||
| Coefficient D | 1.48000e-07 | |||
| Coefficient E | 0.00000e+00 | |||
| Temperature range, min. | 273.00 | |||
| Temperature range, max. | 1000.00 | |||
| Cp,gas | 149.40 | J/mol×K | 273.00 | Calculated Property |
| Cp,gas | 180.76 | J/mol×K | 353.78 | Calculated Property |
| Cp,gas | 207.76 | J/mol×K | 434.56 | Calculated Property |
| Cp,gas | 230.86 | J/mol×K | 515.33 | Calculated Property |
| Cp,gas | 250.54 | J/mol×K | 596.11 | Calculated Property |
| Cp,gas | 267.27 | J/mol×K | 676.89 | Calculated Property |
| Cp,gas | 281.50 | J/mol×K | 757.67 | Calculated Property |
| Cp,gas | 293.72 | J/mol×K | 838.44 | Calculated Property |
| Cp,gas | 304.38 | J/mol×K | 919.22 | Calculated Property |
| Cp,gas | 313.96 | J/mol×K | 1000.00 | Calculated Property |
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| η | [0.0339499; 0.0002764] | Pa×s | [269.19; 464.04] |
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 | -1.48395e+01 | |||
| Coefficient B | 3.08401e+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. | 269.19 | |||
| Temperature range, max. | 464.04 | |||
| η | 0.0339499 | Pa×s | 269.19 | Calculated Property |
| η | 0.0144696 | Pa×s | 290.84 | Calculated Property |
| η | 0.0069406 | Pa×s | 312.49 | Calculated Property |
| η | 0.0036617 | Pa×s | 334.14 | Calculated Property |
| η | 0.0020882 | Pa×s | 355.79 | Calculated Property |
| η | 0.0012701 | Pa×s | 377.44 | Calculated Property |
| η | 0.0008153 | Pa×s | 399.09 | Calculated Property |
| η | 0.0005478 | Pa×s | 420.74 | Calculated Property |
| η | 0.0003827 | Pa×s | 442.39 | Calculated Property |
| η | 0.0002764 | Pa×s | 464.04 | Calculated Property |
Similar Compounds
Find more compounds similar to 2,2-BIS(CHLOROMETHYL)-1-PROPANOL.
Sources
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