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-Dichloro-2-hydroxypropane
1,3-Dichloro-2-propanol
1,3-Dichlorohydrin
1,3-Dichloroisopropanol
1,3-Dichloroisopropyl alcohol
1,3-Dichloropropan-2-ol
1,3-Dichloropropanol-2
2-Chloro-1-(chloromethyl)ethanol
Dichlorohydrin
Enodrin
Glycerol 1,3-dichlorohydrin
Glycerol «alpha»,«gamma»-dichlorohydrin
Glycerol Â«alphaÂ»,Â«gammaÂ»-dichlorohydrin
NSC 70982
Propylene dichlorohydrin
S-Dichloroisopropyl alcohol
S-Glycerol dichlorohydrin
U 25,354
UN 2750
glycerol-.alpha.,.gamma.-dichlorohydrin
glycerol-1,3-dichlorohydrin
sym-Dichloroisopropyl alcohol
sym-Glycerol dichlorohydrin
«alpha»,«gamma»-Dichlorohydrin
«alpha»-Dichlorohydrin
Â«alphaÂ»,Â«gammaÂ»-Dichlorohydrin
Â«alphaÂ»-Dichlorohydrin

ω : Acentric Factor.
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_fG° : Standard Gibbs free energy of formation (kJ/mol).
Δ_fH°_gas : Enthalpy of formation at standard conditions (kJ/mol).
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 standard conditions (kJ/mol).
Δ_vapH : Enthalpy of vaporization at a given temperature (kJ/mol).
IE : Ionization energy (eV).
log₁₀WS : Log10 of Water solubility in mol/l.
logP_oct/wat : Octanol/Water partition coefficient.
McVol : McGowan's characteristic volume (ml/mol).
P_c : Critical Pressure (kPa).
P_vap : Vapor pressure (kPa).
ρ_l : Liquid Density (kg/m³).
I_np : Non-polar retention indices.
I : Polar retention indices.
T_boil : Normal Boiling Point Temperature (K).
T_c : Critical Temperature (K).
T_fus : Normal melting (fusion) point (K).
V_c : Critical Volume (m³/kmol).
¹: Molecular weight from the IUPAC atomic weights tables.

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Physical Properties

Property	Value	Unit	Source
ω	0.5690		Relay (1.0) Calculated Property
Δ_cH°_liquid	[-1701.06; -1700.00]	kJ/mol
Δ_cH°_liquid	-1700.00 ± 1.00	kJ/mol	NIST
Δ_cH°_liquid	-1701.06 ± 0.12	kJ/mol	NIST
Δ_fG°	-188.74	kJ/mol	Joback Calculated Property
Δ_fH°_gas	-357.00	kJ/mol	Relay (1.0) Calculated Property
Δ_fH°_liquid	-385.00 ± 1.00	kJ/mol	NIST
Δ_fusH°	12.49	kJ/mol	Joback Calculated Property
Δ_vapH°	59.82	kJ/mol	Relay (1.0) Calculated Property
IE	10.71	eV	Relay (1.0) Calculated Property
log₁₀WS	-0.11		Aq. Solubility Prediction
logP_oct/wat	0.825		Crippen Calculated Property
McVol	83.480	ml/mol	McGowan Calculated Property
P_c	4565.38	kPa	Joback Calculated Property
I_np	[852.90; 885.00]
I_np	852.90		NIST
I_np	876.00		NIST
I_np	873.00		NIST
I_np	863.00		NIST
I_np	863.00		NIST
I_np	873.00		NIST
I_np	885.00		NIST
I_np	885.00		NIST
I	1765.00		NIST
T_boil	[447.00; 448.30]	K
T_boil	447.50	K	NIST
T_boil	447.00	K	NIST
T_boil	448.30 ± 0.50	K	NIST
T_boil	448.30 ± 0.50	K	NIST
T_boil	448.30 ± 0.50	K	NIST
T_c	673.75	K	Relay (1.0) Calculated Property
T_fus	259.46	K	Relay (1.0) Calculated Property
V_c	0.298	m³/kmol	Relay (1.0) Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
C_p,gas	[142.19; 171.37]	J/mol×K	[434.64; 615.83]

C_p,gas	142.19	J/mol×K	434.64	Joback Calculated Property
C_p,gas	147.67	J/mol×K	464.84	Joback Calculated Property
C_p,gas	152.89	J/mol×K	495.04	Joback Calculated Property
C_p,gas	157.86	J/mol×K	525.23	Joback Calculated Property
C_p,gas	162.59	J/mol×K	555.43	Joback Calculated Property
C_p,gas	167.09	J/mol×K	585.63	Joback Calculated Property
C_p,gas	171.37	J/mol×K	615.83	Joback Calculated Property
η	[0.0003215; 0.0828767]	Pa×s	[229.23; 434.64]

η	0.0828767	Pa×s	229.23	Joback Calculated Property
η	0.0180080	Pa×s	263.47	Joback Calculated Property
η	0.0055588	Pa×s	297.70	Joback Calculated Property
η	0.0021867	Pa×s	331.94	Joback Calculated Property
η	0.0010242	Pa×s	366.17	Joback Calculated Property
η	0.0005461	Pa×s	400.40	Joback Calculated Property
η	0.0003215	Pa×s	434.64	Joback Calculated Property
Δ_vapH	50.40	kJ/mol	374.50	NIST
ρ_l	[1332.47; 1362.66]	kg/m³	[293.15; 318.15]

ρ_l	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
ρ_l	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
ρ_l	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
ρ_l	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
ρ_l	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
ρ_l	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
ρ_l	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
ρ_l	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
ρ_l	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
ρ_l	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
P_vap	[1.33; 202.66]	kPa	[337.47; 472.51]	The Yaws Handbook of Vapor Pressure
Equation			ln(Pvp) = A + B/(T + C)
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

P_vap	1.33	kPa	337.47	Calculated Property
P_vap	2.84	kPa	352.47	Calculated Property
P_vap	5.68	kPa	367.48	Calculated Property
P_vap	10.74	kPa	382.48	Calculated Property
P_vap	19.29	kPa	397.49	Calculated Property
P_vap	33.15	kPa	412.49	Calculated Property
P_vap	54.78	kPa	427.50	Calculated Property
P_vap	87.36	kPa	442.50	Calculated Property
P_vap	134.97	kPa	457.51	Calculated Property
P_vap	202.66	kPa	472.51	Calculated Property

Similar Compounds

1,3-Dichloro-2-propanol, trimethylsilyl ether.

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

Mixtures

Sources

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