Chemical Properties of Acetic acid, dichloro- (CAS 79-43-6)

InChI

InChI=1S/C2H2Cl2O2/c3-1(4)2(5)6/h1H,(H,5,6)

InChI Key

JXTHNDFMNIQAHM-UHFFFAOYSA-N

Formula

C2H2Cl2O2

SMILES

O=C(O)C(Cl)Cl

Molecular Weight¹

128.94

CAS

79-43-6

Other Names

• 2,2-Dichloroacetic acid
• 2,2-dichloroethanoic acid
• Acetic acid, 2,2-dichloro-
• Bichloracetic acid
• DCA
• DCA (acid)
• DICHLOROACETIC ACID
• DICHLOROETHANOIC ACID
• Dichloracetic acid
• Dichlorethanoic acid
• Kyselina dichloroctova
• NSC 2654
• UN 1764
• Urner's liquid

• ω : Acentric Factor.
• Δ_cH°_liquid : Standard liquid enthalpy of combustion (kJ/mol).
• C_p,gas : Ideal gas heat capacity (J/mol×K).
• C_p,liquid : Liquid phase heat capacity (J/mol×K).
• C_p,solid : Solid phase 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_fusH° : Enthalpy of fusion at standard conditions (kJ/mol).
• Δ_fusH : Enthalpy of fusion at a given temperature (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).
• Δ_fusS : Entropy of fusion at a given temperature (J/mol×K).
• T_boil : Normal Boiling Point Temperature (K).
• T_c : Critical Temperature (K).
• T_fus : Normal melting (fusion) point (K).
• T_triple : Triple Point Temperature (K).
• V_c : Critical Volume (m³/kmol).
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Property	Value	Unit	Source
ω	0.5701		Relay (1.0) Calculated Property
ΔcH°liquid	[-624.00; -619.70]	kJ/mol
ΔcH°liquid	-624.00 ± 4.00	kJ/mol	NIST
ΔcH°liquid	-619.70	kJ/mol	NIST
ΔfG°	-326.08	kJ/mol	Joback Calculated Property
ΔfH°gas	-459.41	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	11.49	kJ/mol	Joback Calculated Property
ΔvapH°	64.17	kJ/mol	Relay (1.0) Calculated Property
IE	11.29	eV	Relay (1.0) Calculated Property
log10WS	0.34		Relay (1.0) Calculated Property
logPoct/wat	0.875		Crippen Calculated Property
McVol	70.960	ml/mol	McGowan Calculated Property
Pc	5730.52	kPa	Joback Calculated Property
Tboil	467.20	K	NIST
Tc	693.93	K	Relay (1.0) Calculated Property
Tfus	[283.95; 284.00]	K
Tfus	284.00 ± 1.50	K	NIST
Tfus	283.95 ± 0.10	K	NIST
Ttriple	286.50 ± 0.20	K	NIST
Vc	0.253	m3/kmol	Relay (1.0) Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[112.54; 130.11]	J/mol×K	[465.63; 659.61]
Cp,gas	112.54	J/mol×K	465.63	Joback Calculated Property
Cp,gas	115.94	J/mol×K	497.96	Joback Calculated Property
Cp,gas	119.15	J/mol×K	530.29	Joback Calculated Property
Cp,gas	122.16	J/mol×K	562.62	Joback Calculated Property
Cp,gas	124.99	J/mol×K	594.95	Joback Calculated Property
Cp,gas	127.64	J/mol×K	627.28	Joback Calculated Property
Cp,gas	130.11	J/mol×K	659.61	Joback Calculated Property
Cp,liquid	207.00	J/mol×K	307.00	NIST
Cp,solid	182.30	J/mol×K	280.31	NIST
η	[0.0003095; 0.0281388]	Pa×s	[267.89; 465.63]
η	0.0281388	Pa×s	267.89	Joback Calculated Property
η	0.0087913	Pa×s	300.85	Joback Calculated Property
η	0.0034560	Pa×s	333.80	Joback Calculated Property
η	0.0016068	Pa×s	366.76	Joback Calculated Property
η	0.0008476	Pa×s	399.72	Joback Calculated Property
η	0.0004929	Pa×s	432.67	Joback Calculated Property
η	0.0003095	Pa×s	465.63	Joback Calculated Property
ΔfusH	[7.64; 12.34]	kJ/mol	[283.95; 286.50]
ΔfusH	7.64	kJ/mol	283.95	NIST
ΔfusH	12.34	kJ/mol	286.50	NIST
ΔfusH	12.34	kJ/mol	286.50	NIST
ΔfusH	12.34	kJ/mol	286.50	NIST
ΔvapH	55.70	kJ/mol	392.50	NIST
Pvap	[5.00; 40.00]	kPa	[384.30; 437.00]
Pvap	5.00	kPa	384.30	Isobaric low pressure vapor-liquid equilibrium data for the binary system monochloroacetic acid + dichloroacetic acid
Pvap	6.00	kPa	388.30	Isobaric low pressure vapor-liquid equilibrium data for the binary system monochloroacetic acid + dichloroacetic acid
Pvap	7.00	kPa	391.80	Isobaric low pressure vapor-liquid equilibrium data for the binary system monochloroacetic acid + dichloroacetic acid
Pvap	8.00	kPa	394.80	Isobaric low pressure vapor-liquid equilibrium data for the binary system monochloroacetic acid + dichloroacetic acid
Pvap	9.00	kPa	397.60	Isobaric low pressure vapor-liquid equilibrium data for the binary system monochloroacetic acid + dichloroacetic acid
Pvap	10.00	kPa	400.20	Isobaric low pressure vapor-liquid equilibrium data for the binary system monochloroacetic acid + dichloroacetic acid
Pvap	11.00	kPa	402.40	Isobaric low pressure vapor-liquid equilibrium data for the binary system monochloroacetic acid + dichloroacetic acid
Pvap	12.00	kPa	404.30	Isobaric low pressure vapor-liquid equilibrium data for the binary system monochloroacetic acid + dichloroacetic acid
Pvap	13.00	kPa	406.40	Isobaric low pressure vapor-liquid equilibrium data for the binary system monochloroacetic acid + dichloroacetic acid
Pvap	14.00	kPa	408.30	Isobaric low pressure vapor-liquid equilibrium data for the binary system monochloroacetic acid + dichloroacetic acid
Pvap	15.00	kPa	410.10	Isobaric low pressure vapor-liquid equilibrium data for the binary system monochloroacetic acid + dichloroacetic acid
Pvap	17.50	kPa	414.10	Isobaric low pressure vapor-liquid equilibrium data for the binary system monochloroacetic acid + dichloroacetic acid
Pvap	20.00	kPa	417.50	Isobaric low pressure vapor-liquid equilibrium data for the binary system monochloroacetic acid + dichloroacetic acid
Pvap	25.00	kPa	423.50	Isobaric low pressure vapor-liquid equilibrium data for the binary system monochloroacetic acid + dichloroacetic acid
Pvap	30.00	kPa	428.60	Isobaric low pressure vapor-liquid equilibrium data for the binary system monochloroacetic acid + dichloroacetic acid
Pvap	40.00	kPa	437.00	Isobaric low pressure vapor-liquid equilibrium data for the binary system monochloroacetic acid + dichloroacetic acid
ΔfusS	[26.90; 43.10]	J/mol×K	[283.95; 286.50]
ΔfusS	26.90	J/mol×K	283.95	NIST
ΔfusS	43.10	J/mol×K	286.50	NIST

Correlations

Property	Value	Unit	Temperature (K)	Source
Pvap	[1.33; 202.64]	kPa	[356.23; 493.64]	The Yaws Handbook of Vapor Pressure
Equation			ln(Pvp) = A + B/(T + C)
Coefficient A			1.55903e+01
Coefficient B			-4.30223e+03
Coefficient C			-7.50870e+01
Temperature range, min.			356.23
Temperature range, max.			493.64
Pvap	1.33	kPa	356.23	Calculated Property
Pvap	2.93	kPa	371.50	Calculated Property
Pvap	5.97	kPa	386.77	Calculated Property
Pvap	11.38	kPa	402.03	Calculated Property
Pvap	20.46	kPa	417.30	Calculated Property
Pvap	35.00	kPa	432.57	Calculated Property
Pvap	57.30	kPa	447.84	Calculated Property
Pvap	90.25	kPa	463.10	Calculated Property
Pvap	137.32	kPa	478.37	Calculated Property
Pvap	202.64	kPa	493.64	Calculated Property
Pvap	[8.81e-03; 1299.14]	kPa	[286.55; 586.00]	KDB Vapor Pressure Data
Equation			ln(Pvp) = A + B/T + C*ln(T) + D*T^2
Coefficient A			1.23660e+02
Coefficient B			-1.17531e+04
Coefficient C			-1.55582e+01
Coefficient D			7.93214e-06
Temperature range, min.			286.55
Temperature range, max.			586.00
Pvap	8.81e-03	kPa	286.55	Calculated Property
Pvap	0.13	kPa	319.82	Calculated Property
Pvap	1.09	kPa	353.09	Calculated Property
Pvap	5.74	kPa	386.37	Calculated Property
Pvap	21.90	kPa	419.64	Calculated Property
Pvap	65.84	kPa	452.91	Calculated Property
Pvap	165.35	kPa	486.18	Calculated Property
Pvap	362.12	kPa	519.46	Calculated Property
Pvap	714.11	kPa	552.73	Calculated Property
Pvap	1299.14	kPa	586.00	Calculated Property

Similar Compounds

Find more compounds similar to Acetic acid, dichloro-.

Mixtures

• Acetic acid, chloro- + Acetic acid, dichloro-
• Benzene + Acetic acid, dichloro-

Sources

• KDB Vapor Pressure Data
• Cheméo Relay (1.0)
• Crippen Method
• Crippen Method
• Isobaric low pressure vapor-liquid equilibrium data for the binary system monochloroacetic acid + dichloroacetic acid
• Isobaric low-pressure vapor liquid equilibrium data of the system monochloroacetic acid + dichloroacetic acid + diethylene glycol dipentyl ether and the constituent binary systems
• Isobaric Vapor-Liquid Equilibria for Binary Systems of Acetic Acid + Benzene, Chloroacetic Acid + Benzene, and Dichloroacetic Acid + Benzene at 101.33 kPa
• Joback Method
• KDB
• McGowan Method
• NIST Webbook
• The Yaws Handbook of Vapor Pressure

Note: Cheméo is only indexing the data, follow the source links to retrieve the latest data. The source is also providing more information like the publication year, authors and more. Take the time to validate and double check the source of the data.