- InChI
- InChI=1S/C3H7ClO2/c4-1-3(6)2-5/h3,5-6H,1-2H2
- InChI Key
- SSZWWUDQMAHNAQ-UHFFFAOYSA-N
- Formula
- C3H7ClO2
- SMILES
- OCC(O)CCl
- Molecular Weight1
- 110.54
- CAS
- 96-24-2
- Other Names
-
- (.+/-.)-2,3-Dihydroxychloropropane
- .alpha.-chlorohydrin
- 1,2-Dihydroxy-3-chloropropane
- 1,2-Propanediol, 3-dichloro-
- 1-Chloro-1-deoxyglycerol
- 1-Chloro-2,3-dihydroxypropane
- 1-Chloro-2,3-propanediol
- 1-Chloropropane-2,3-diol
- 2,3-Dihydroxypropyl chloride
- 3-Chloro-1,2-dihydroxypropane
- 3-Chloro-1,2-propandiol
- 3-Chloro-1,2-propylene glycol
- 3-Chloropropandiol-(1,2)
- 3-Chloropropane-1,2-diol
- 3-Chloropropanediol
- 3-Chloropropylene glycol
- 3-chloro-1,2-propanediol
- Chlorodeoxyglycerol
- Chloropropanediol
- Epibloc
- Glycerin epichlorohydrin
- Glycerin «alpha»-monochlorhydrin
- Glycerol 3-chlorohydrin
- Glycerol chlorohydrin
- Glycerol «alpha»-chlorohydrin
- Glycerol-«alpha»-monochlorohydrin
- Glyceryl chloride
- Glyceryl «alpha»-chlorohydrin
- U 5897
- UN 2689
- «alpha»-Chlorohydrin
- «alpha»-Monochlorohydrine
- «beta»,«beta»'-Dihydroxyisopropyl chloride
- ΔcH°liquid : Standard liquid enthalpy of combustion (kJ/mol).
- Cp,gas : Ideal gas heat capacity (J/mol×K).
- η : Dynamic viscosity (Pa×s).
- ΔfH°gas : Enthalpy of formation at standard conditions (kJ/mol).
- ΔfH°liquid : Liquid phase 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).
- 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).
- 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 |
|---|---|---|---|
| ΔcH°liquid | [-1683.51; -1679.00] | kJ/mol |
|
| ΔcH°liquid | -1679.00 ± 0.40 | kJ/mol | NIST |
| ΔcH°liquid | -1683.51 ± 0.97 | kJ/mol | NIST |
| ΔfH°gas | -484.34 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfH°liquid | -525.10 ± 0.80 | kJ/mol | NIST |
| ΔfusH° | 12.38 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 79.40 | kJ/mol | Relay (1.0) Calculated Property |
| log10WS | 0.82 | Relay (1.0) Calculated Property | |
| logPoct/wat | -0.422 | Crippen Calculated Property | |
| McVol | 77.110 | ml/mol | McGowan Calculated Property |
| Pc | 5478.85 | kPa | Joback Calculated Property |
| Tboil | 486.20 | K | NIST |
| Tc | 736.79 | K | Relay (1.0) Calculated Property |
| Tfus | 233.15 | K | Jean-Claude Bradley Open Melting Point Dataset (2014, CC0) Compiled value |
| Vc | 0.269 | m3/kmol | Relay (1.0) Calculated Property |
Cheméo can also estimate Standard Gibbs free energy of formation, Acentric Factor, Ionization energy for this compound, but they fall outside the models' validated range, so they are not shown here. Open the prediction tool to compute them on demand.
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| ΔvapH | 66.60 | kJ/mol | 376.00 | NIST |
Correlations
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [107.22; 220.25] | 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 | 2.19520e+01 | |||
| Coefficient B | 3.69500e-01 | |||
| Coefficient C | -2.23800e-04 | |||
| Coefficient D | 5.26000e-08 | |||
| Coefficient E | 0.00000e+00 | |||
| Temperature range, min. | 273.00 | |||
| Temperature range, max. | 1000.00 | |||
| Cp,gas | 107.22 | J/mol×K | 273.00 | Calculated Property |
| Cp,gas | 126.99 | J/mol×K | 353.78 | Calculated Property |
| Cp,gas | 144.57 | J/mol×K | 434.56 | Calculated Property |
| Cp,gas | 160.13 | J/mol×K | 515.33 | Calculated Property |
| Cp,gas | 173.83 | J/mol×K | 596.11 | Calculated Property |
| Cp,gas | 185.84 | J/mol×K | 676.89 | Calculated Property |
| Cp,gas | 196.31 | J/mol×K | 757.67 | Calculated Property |
| Cp,gas | 205.43 | J/mol×K | 838.44 | Calculated Property |
| Cp,gas | 213.36 | J/mol×K | 919.22 | Calculated Property |
| Cp,gas | 220.25 | J/mol×K | 1000.00 | Calculated Property |
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| η | [1.7426610; 0.0002189] | Pa×s | [233.15; 460.56] |
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 | -1.76356e+01 | |||
| Coefficient B | 4.24124e+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. | 233.15 | |||
| Temperature range, max. | 460.56 | |||
| η | 1.7426610 | Pa×s | 233.15 | Calculated Property |
| η | 0.2942618 | Pa×s | 258.42 | Calculated Property |
| η | 0.0682125 | Pa×s | 283.69 | Calculated Property |
| η | 0.0200835 | Pa×s | 308.95 | Calculated Property |
| η | 0.0071139 | Pa×s | 334.22 | Calculated Property |
| η | 0.0029157 | Pa×s | 359.49 | Calculated Property |
| η | 0.0013435 | Pa×s | 384.76 | Calculated Property |
| η | 0.0006811 | Pa×s | 410.02 | Calculated Property |
| η | 0.0003736 | Pa×s | 435.29 | Calculated Property |
| η | 0.0002189 | Pa×s | 460.56 | Calculated Property |
Similar Compounds
Find more compounds similar to 1,2-Propanediol, 3-chloro-.
Mixtures
- 1,2-Propanediol, 3-chloro- + Glycine
- D-Alanine + 1,2-Propanediol, 3-chloro-
- D-Valine + 1,2-Propanediol, 3-chloro-
- D-Leucine + 1,2-Propanediol, 3-chloro-
- 1,2-Propanediol, 3-chloro- + Glycine + Water
- D-Alanine + 1,2-Propanediol, 3-chloro- + Water
- D-Valine + 1,2-Propanediol, 3-chloro- + Water
- D-Leucine + 1,2-Propanediol, 3-chloro- + Water
- 1,2-Propanediol, 3-chloro- + Water + Glycine, N-(carboxymethyl)-
- 1,2-Propanediol, 3-chloro- + Water + N-(N-Glycylglycyl)glycine
Sources
- Jean-Claude Bradley Open Melting Point Dataset (2014, CC0) ChEDL chemicals 1.5.2, from Bradley, J.-C.; Williams, A.; Lang, A. Jean-Claude Bradley Open Melting Point Dataset. Figshare, 2014 (CC0).
- Cheméo Relay (1.0)
- Crippen Method
- Crippen Method
- Interaction of some hydrophobic amino acids, peptides, and protein with aqueous 3-chloro-1,2-propanediol and 3-chloro-1-propanol: Biophysical studies
- Joback Method
- McGowan Method
- NIST Webbook
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