Chemical Properties of 2-Propanol, 1,3-dichloro- (CAS 96-23-1)

InChI

InChI=1S/C3H6Cl2O/c4-1-3(6)2-5/h3,6H,1-2H2

InChI Key

DEWLEGDTCGBNGU-UHFFFAOYSA-N

Formula

C3H6Cl2O

SMILES

OC(CCl)CCl

Molecular Weight¹

128.99

CAS

96-23-1

Other Names

• .alpha.,.gamma.-dichlorohydrin
• .alpha.-dichlorohydrin
• 1,3-Dichloropropan-2-ol
• 1,3-Dichloropropanol-2
• 1,3-dichloro-2-hydroxypropane
• 1,3-dichloro-2-propanol
• 1,3-dichlorohydrin
• 1,3-dichloroisopropanol
• 1,3-dichloroisopropyl alcohol
• 2-chloro-1-(chloromethyl)ethanol
• Dichlorohydrin
• Enodrin
• Glycerol 1,3-dichlorohydrin
• Glycerol «alpha»,«gamma»-dichlorohydrin
• NSC 70982
• S-Dichloroisopropyl alcohol
• S-Glycerol dichlorohydrin
• U 25,354
• UN 2750
• glycerol-.alpha.,.gamma.-dichlorohydrin
• glycerol-1,3-dichlorohydrin
• propylene dichlorohydrin
• sym-dichloroisopropyl alcohol
• sym-glycerol dichlorohydrin
• «alpha»,«gamma»-Dichlorohydrin
• «alpha»-Dichlorohydrin

• Δ_cH°_liquid : Standard liquid enthalpy of combustion (kJ/mol).
• C_p,gas : Ideal gas heat capacity (J/mol×K).
• η : Dynamic viscosity (Pa×s).
• Δ_fH°_liquid : Liquid phase enthalpy of formation at standard conditions (kJ/mol).
• Δ_fusH° : Enthalpy of fusion at standard conditions (kJ/mol).
• Δ_vapH : Enthalpy of vaporization at a given temperature (kJ/mol).
• log₁₀WS : Log10 of Water solubility in mol/l.
• logP_oct/wat : Octanol/Water partition coefficient.
• McVol : McGowan's characteristic volume (ml/mol).
• P_vap : Vapor pressure (kPa).
• ρ_l : Liquid Density (kg/m³).
• I_np : Non-polar retention indices.
• I_p : Polar retention indices.
• T_boil : Normal Boiling Point Temperature (K).
• T_fus : Normal melting (fusion) point (K).
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Property	Value	Unit	Source
ΔcH°liquid	[-1701.06; -1700.00]	kJ/mol
ΔcH°liquid	-1700.00 ± 1.00	kJ/mol	NIST
ΔcH°liquid	-1701.06 ± 0.12	kJ/mol	NIST
ΔfH°liquid	-385.00 ± 1.00	kJ/mol	NIST
ΔfusH°	12.49	kJ/mol	Joback Calculated Property
log10WS	-0.11		Aq. Solubility Prediction
logPoct/wat	0.825		Crippen Calculated Property
McVol	83.480	ml/mol	McGowan Calculated Property
Inp	[852.90; 885.00]
Inp	852.90		NIST
Inp	876.00		NIST
Inp	873.00		NIST
Inp	863.00		NIST
Inp	863.00		NIST
Inp	873.00		NIST
Inp	885.00		NIST
Inp	885.00		NIST
Inp	876.00		NIST
Ip	[1765.00; 1765.00]
Ip	1765.00		NIST
Ip	1765.00		NIST
Tboil	[447.00; 448.30]	K
Tboil	447.50	K	NIST
Tboil	447.00	K	NIST
Tboil	448.30 ± 0.50	K	NIST
Tboil	448.30 ± 0.50	K	NIST
Tboil	448.30 ± 0.50	K	NIST
Tfus	269.15	K	Jean-Claude Bradley Open Melting Point Dataset (2014, CC0) Compiled value

Cheméo can also estimate Critical Temperature, Critical Pressure, Critical Volume, Enthalpy of formation at standard conditions, Enthalpy of vaporization at standard conditions, 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	50.40	kJ/mol	374.50	NIST
ρl	[1332.47; 1362.66]	kg/m3	[293.15; 318.15]
ρl	1362.66	kg/m3	293.15	The study of excess molar volumes and related properties for binary mixtures containing benzyl alcohol and 1,3-dichloro-2-propanol with vinyl acetate, ethyl acetate and t-butyl acetate at T = 293.15 to 313.15 K and P = 0.087 MPa
ρl	1356.46	kg/m3	298.15	Volumetric properties for binary and ternary mixtures of allyl alcohol, 1,3-dichloro-2-propanol and 1-ethyl-3-methyl imidazolium ethyl sulfate [Emim][EtSO4] from T = 298.15 to 318.15 K at ambient pressure
ρl	1356.74	kg/m3	298.15	The study of excess molar volumes and related properties for binary mixtures containing benzyl alcohol and 1,3-dichloro-2-propanol with vinyl acetate, ethyl acetate and t-butyl acetate at T = 293.15 to 313.15 K and P = 0.087 MPa
ρl	1350.55	kg/m3	303.15	Volumetric properties for binary and ternary mixtures of allyl alcohol, 1,3-dichloro-2-propanol and 1-ethyl-3-methyl imidazolium ethyl sulfate [Emim][EtSO4] from T = 298.15 to 318.15 K at ambient pressure
ρl	1350.72	kg/m3	303.15	The study of excess molar volumes and related properties for binary mixtures containing benzyl alcohol and 1,3-dichloro-2-propanol with vinyl acetate, ethyl acetate and t-butyl acetate at T = 293.15 to 313.15 K and P = 0.087 MPa
ρl	1344.61	kg/m3	308.15	Volumetric properties for binary and ternary mixtures of allyl alcohol, 1,3-dichloro-2-propanol and 1-ethyl-3-methyl imidazolium ethyl sulfate [Emim][EtSO4] from T = 298.15 to 318.15 K at ambient pressure
ρl	1344.71	kg/m3	308.15	The study of excess molar volumes and related properties for binary mixtures containing benzyl alcohol and 1,3-dichloro-2-propanol with vinyl acetate, ethyl acetate and t-butyl acetate at T = 293.15 to 313.15 K and P = 0.087 MPa
ρl	1338.56	kg/m3	313.15	Volumetric properties for binary and ternary mixtures of allyl alcohol, 1,3-dichloro-2-propanol and 1-ethyl-3-methyl imidazolium ethyl sulfate [Emim][EtSO4] from T = 298.15 to 318.15 K at ambient pressure
ρl	1338.65	kg/m3	313.15	The study of excess molar volumes and related properties for binary mixtures containing benzyl alcohol and 1,3-dichloro-2-propanol with vinyl acetate, ethyl acetate and t-butyl acetate at T = 293.15 to 313.15 K and P = 0.087 MPa
ρl	1332.47	kg/m3	318.15	Volumetric properties for binary and ternary mixtures of allyl alcohol, 1,3-dichloro-2-propanol and 1-ethyl-3-methyl imidazolium ethyl sulfate [Emim][EtSO4] from T = 298.15 to 318.15 K at ambient pressure

Correlations

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[108.12; 209.85]	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			2.95520e+01
Coefficient B			3.42300e-01
Coefficient C			-2.13800e-04
Coefficient D			5.18000e-08
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	108.12	J/mol×K	273.00	Calculated Property
Cp,gas	126.18	J/mol×K	353.78	Calculated Property
Cp,gas	142.18	J/mol×K	434.56	Calculated Property
Cp,gas	156.26	J/mol×K	515.33	Calculated Property
Cp,gas	168.60	J/mol×K	596.11	Calculated Property
Cp,gas	179.36	J/mol×K	676.89	Calculated Property
Cp,gas	188.70	J/mol×K	757.67	Calculated Property
Cp,gas	196.78	J/mol×K	838.44	Calculated Property
Cp,gas	203.78	J/mol×K	919.22	Calculated Property
Cp,gas	209.85	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0145112; 0.0003374]	Pa×s	[269.15; 431.28]	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			-1.42383e+01
Coefficient B			2.69297e+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.			269.15
Temperature range, max.			431.28
η	0.0145112	Pa×s	269.15	Calculated Property
η	0.0077467	Pa×s	287.16	Calculated Property
η	0.0044536	Pa×s	305.18	Calculated Property
η	0.0027234	Pa×s	323.19	Calculated Property
η	0.0017541	Pa×s	341.21	Calculated Property
η	0.0011808	Pa×s	359.22	Calculated Property
η	0.0008255	Pa×s	377.23	Calculated Property
η	0.0005962	Pa×s	395.25	Calculated Property
η	0.0004430	Pa×s	413.26	Calculated Property
η	0.0003374	Pa×s	431.28	Calculated Property

Property	Value	Unit	Temperature (K)	Source
Pvap	[1.33; 202.66]	kPa	[337.47; 472.51]	The Yaws Handbook of Vapor Pressure
Equation			ln(Y) = A + B/(T + C) Y is Pvap in kPa, T in K
Coefficient A			1.72693e+01
Coefficient B			-5.45806e+03
Coefficient C			-1.60670e+01
Temperature range, min.			337.47
Temperature range, max.			472.51
Pvap	1.33	kPa	337.47	Calculated Property
Pvap	2.84	kPa	352.47	Calculated Property
Pvap	5.68	kPa	367.48	Calculated Property
Pvap	10.74	kPa	382.48	Calculated Property
Pvap	19.29	kPa	397.49	Calculated Property
Pvap	33.15	kPa	412.49	Calculated Property
Pvap	54.78	kPa	427.50	Calculated Property
Pvap	87.36	kPa	442.50	Calculated Property
Pvap	134.97	kPa	457.51	Calculated Property
Pvap	202.66	kPa	472.51	Calculated Property

Similar Compounds

Find more compounds similar to 2-Propanol, 1,3-dichloro-.

Mixtures

• 2-Propanol, 1,3-dichloro- + Allyl alcohol
• 2-Propanol, 1,3-dichloro- + Acetic acid ethenyl ester
• 2-Propanol, 1,3-dichloro- + Ethyl Acetate
• 2-Propanol, 1,3-dichloro- + Acetic acid, 1,1-dimethylethyl ester
• 2-Propanol, 1,3-dichloro- + Water
• Oxirane, (chloromethyl)- + 2-Propanol, 1,3-dichloro- + Water

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, beta) Beta: served but experimental, data-limited and below our cross-validation release bar; the Joback value is recommended where available.
• Crippen Method
• Volumetric properties for binary and ternary mixtures of allyl alcohol, 1,3-dichloro-2-propanol and 1-ethyl-3-methyl imidazolium ethyl sulfate [Emim][EtSO4] from T = 298.15 to 318.15 K at ambient pressure
• The study of excess molar volumes and related properties for binary mixtures containing benzyl alcohol and 1,3-dichloro-2-propanol with vinyl acetate, ethyl acetate and t-butyl acetate at T = 293.15 to 313.15 K and P = 0.087 MPa
• Liquid Liquid Equilibria for the System Water + 1,3-Dichloro-2-propanol + Epichlorohydrin from (283.2 to 303.2) K
• Joback Method
• Aqueous Solubility Prediction Method
• McGowan Method
• NIST Webbook
• The Yaws Handbook of Vapor Pressure

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