Chemical Properties of Acetic acid, chloro- (CAS 79-11-8)

InChI

InChI=1S/C2H3ClO2/c3-1-2(4)5/h1H2,(H,4,5)

InChI Key

FOCAUTSVDIKZOP-UHFFFAOYSA-N

Formula

C2H3ClO2

SMILES

O=C(O)CCl

Molecular Weight¹

94.50

CAS

79-11-8

Other Names

• ALPHA-CHLOROACETIC ACID
• Acetic acid, 2-chloro-
• Acide chloracetique
• Acide monochloracetique
• Acidomonocloroacetico
• CH2ClCOOH
• Chloracetic acid
• Kyselina chloroctova
• MCA
• Monochloorazijnzuur
• Monochloracetic acid
• Monochloressigsaeure
• Monochloroethanoic acid
• NCI-C60231
• NSC 142
• UN 1751
• chloroacetic acid
• chloroethanoic acid
• monochloroacetic acid
• «alpha»-Chloroacetic acid

• ω : Acentric Factor.
• PAff : Proton affinity (kJ/mol).
• BasG : Gas basicity (kJ/mol).
• Δ_cH°_solid : Standard solid 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_subH° : Enthalpy of sublimation 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).
• 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).
• V_c : Critical Volume (m³/kmol).
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Property	Value	Unit	Source
ω	0.6008		Relay (1.0) Calculated Property
PAff	765.40	kJ/mol	NIST
BasG	734.50	kJ/mol	NIST
ΔcH°solid	[-729.00; -726.80]	kJ/mol
ΔcH°solid	-729.00 ± 4.00	kJ/mol	NIST
ΔcH°solid	-726.80	kJ/mol	NIST
ΔfG°	-389.88	kJ/mol	Joback Calculated Property
ΔfH°gas	-471.70	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	15.28	kJ/mol	Joback Calculated Property
ΔsubH°	82.20 ± 0.90	kJ/mol	NIST
ΔvapH°	57.55	kJ/mol	Relay (1.0) Calculated Property
IE	[10.70; 10.99]	eV
IE	10.70	eV	NIST
IE	10.99	eV	NIST
log10WS	0.94		Aq. Solubility Prediction
logPoct/wat	0.310		Crippen Calculated Property
McVol	58.720	ml/mol	McGowan Calculated Property
Pc	5422.51	kPa	Joback Calculated Property
Tboil	[461.00; 462.50]	K
Tboil	462.50	K	KDB
Tboil	462.20	K	NIST
Tboil	Outlier 461.00 ± 0.07	K	NIST
Tboil	462.50 ± 0.30	K	NIST
Tboil	462.50 ± 0.35	K	NIST
Tboil	462.50 ± 0.50	K	NIST
Tc	690.01	K	Relay (1.0) Calculated Property
Tfus	[325.65; 335.80]	K
Tfus	335.45	K	KDB
Tfus	335.53	K	Aq. Solubility Prediction
Tfus	335.80 ± 0.05	K	NIST
Tfus	329.60 ± 0.05	K	NIST
Tfus	334.00 ± 1.50	K	NIST
Tfus	Outlier 325.65 ± 1.00	K	NIST
Tfus	335.65 ± 0.50	K	NIST
Tfus	329.16 ± 0.10	K	NIST
Tfus	334.33 ± 0.10	K	NIST
Vc	0.214	m3/kmol	Relay (1.0) Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[97.48; 118.93]	J/mol×K	[428.30; 632.71]
Cp,gas	97.48	J/mol×K	428.30	Joback Calculated Property
Cp,gas	101.65	J/mol×K	462.37	Joback Calculated Property
Cp,gas	105.57	J/mol×K	496.44	Joback Calculated Property
Cp,gas	109.24	J/mol×K	530.50	Joback Calculated Property
Cp,gas	112.68	J/mol×K	564.57	Joback Calculated Property
Cp,gas	115.91	J/mol×K	598.64	Joback Calculated Property
Cp,gas	118.93	J/mol×K	632.71	Joback Calculated Property
Cp,liquid	179.90	J/mol×K	321.05	NIST
Cp,solid	144.00	J/mol×K	303.00	NIST
η	[0.0003765; 0.0015150]	Pa×s	[302.82; 428.30]
η	0.0015150	Pa×s	302.82	Joback Calculated Property
η	0.0011145	Pa×s	323.73	Joback Calculated Property
η	0.0008510	Pa×s	344.65	Joback Calculated Property
η	0.0006702	Pa×s	365.56	Joback Calculated Property
η	0.0005416	Pa×s	386.47	Joback Calculated Property
η	0.0004474	Pa×s	407.39	Joback Calculated Property
η	0.0003765	Pa×s	428.30	Joback Calculated Property
ΔfusH	[13.93; 16.30]	kJ/mol	[329.16; 334.80]
ΔfusH	13.93	kJ/mol	329.16	NIST
ΔfusH	16.30	kJ/mol	334.33	NIST
ΔfusH	16.30	kJ/mol	334.80	NIST
ΔvapH	[55.70; 61.10]	kJ/mol	[399.50; 428.00]
ΔvapH	61.10	kJ/mol	399.50	NIST
ΔvapH	56.80	kJ/mol	420.00	NIST
ΔvapH	55.70	kJ/mol	428.00	NIST
Pvap	[5.00; 40.00]	kPa	[380.70; 432.60]
Pvap	5.00	kPa	380.70	Isobaric low pressure vapor-liquid equilibrium data for the binary system monochloroacetic acid + dichloroacetic acid
Pvap	6.00	kPa	384.70	Isobaric low pressure vapor-liquid equilibrium data for the binary system monochloroacetic acid + dichloroacetic acid
Pvap	7.50	kPa	389.50	Isobaric low pressure vapor-liquid equilibrium data for the binary system monochloroacetic acid + dichloroacetic acid
Pvap	8.00	kPa	391.00	Isobaric low pressure vapor-liquid equilibrium data for the binary system monochloroacetic acid + dichloroacetic acid
Pvap	9.00	kPa	393.80	Isobaric low pressure vapor-liquid equilibrium data for the binary system monochloroacetic acid + dichloroacetic acid
Pvap	10.00	kPa	396.30	Isobaric low pressure vapor-liquid equilibrium data for the binary system monochloroacetic acid + dichloroacetic acid
Pvap	11.00	kPa	398.70	Isobaric low pressure vapor-liquid equilibrium data for the binary system monochloroacetic acid + dichloroacetic acid
Pvap	12.00	kPa	400.70	Isobaric low pressure vapor-liquid equilibrium data for the binary system monochloroacetic acid + dichloroacetic acid
Pvap	13.00	kPa	402.70	Isobaric low pressure vapor-liquid equilibrium data for the binary system monochloroacetic acid + dichloroacetic acid
Pvap	14.00	kPa	404.60	Isobaric low pressure vapor-liquid equilibrium data for the binary system monochloroacetic acid + dichloroacetic acid
Pvap	15.00	kPa	406.30	Isobaric low pressure vapor-liquid equilibrium data for the binary system monochloroacetic acid + dichloroacetic acid
Pvap	17.50	kPa	410.20	Isobaric low pressure vapor-liquid equilibrium data for the binary system monochloroacetic acid + dichloroacetic acid
Pvap	20.00	kPa	413.70	Isobaric low pressure vapor-liquid equilibrium data for the binary system monochloroacetic acid + dichloroacetic acid
Pvap	25.00	kPa	419.50	Isobaric low pressure vapor-liquid equilibrium data for the binary system monochloroacetic acid + dichloroacetic acid
Pvap	30.00	kPa	424.50	Isobaric low pressure vapor-liquid equilibrium data for the binary system monochloroacetic acid + dichloroacetic acid
Pvap	40.00	kPa	432.60	Isobaric low pressure vapor-liquid equilibrium data for the binary system monochloroacetic acid + dichloroacetic acid
ΔfusS	[42.33; 48.74]	J/mol×K	[329.16; 334.33]
ΔfusS	42.33	J/mol×K	329.16	NIST
ΔfusS	48.74	J/mol×K	334.33	NIST

Correlations

Property	Value	Unit	Temperature (K)	Source
Pvap	[1.00; 204.73]	kPa	[351.55; 487.99]	The Yaws Handbook of Vapor Pressure
Equation			ln(Pvp) = A + B/(T + C)
Coefficient A			1.53521e+01
Coefficient B			-3.94767e+03
Coefficient C			-9.44190e+01
Temperature range, min.			351.55
Temperature range, max.			487.99
Pvap	1.00	kPa	351.55	Calculated Property
Pvap	2.35	kPa	366.71	Calculated Property
Pvap	5.05	kPa	381.87	Calculated Property
Pvap	10.04	kPa	397.03	Calculated Property
Pvap	18.71	kPa	412.19	Calculated Property
Pvap	32.94	kPa	427.35	Calculated Property
Pvap	55.21	kPa	442.51	Calculated Property
Pvap	88.63	kPa	457.67	Calculated Property
Pvap	136.98	kPa	472.83	Calculated Property
Pvap	204.73	kPa	487.99	Calculated Property
Pvap	[0.36; 5643.78]	kPa	[333.15; 686.00]	KDB Vapor Pressure Data
Equation			ln(Pvp) = A + B/T + C*ln(T) + D*T^2
Coefficient A			9.10585e+01
Coefficient B			-1.04050e+04
Coefficient C			-1.05382e+01
Coefficient D			3.33844e-06
Temperature range, min.			333.15
Temperature range, max.			686.00
Pvap	0.36	kPa	333.15	Calculated Property
Pvap	3.30	kPa	372.36	Calculated Property
Pvap	18.22	kPa	411.56	Calculated Property
Pvap	70.50	kPa	450.77	Calculated Property
Pvap	209.95	kPa	489.97	Calculated Property
Pvap	514.09	kPa	529.18	Calculated Property
Pvap	1084.80	kPa	568.38	Calculated Property
Pvap	2041.38	kPa	607.59	Calculated Property
Pvap	3514.47	kPa	646.79	Calculated Property
Pvap	5643.78	kPa	686.00	Calculated Property

Similar Compounds

Find more compounds similar to Acetic acid, chloro-.

Mixtures

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

Sources

• KDB Vapor Pressure Data
• Cheméo Relay (1.0)
• 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
• Aqueous Solubility Prediction Method
• 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.
Outlier This icon means that the value is more than 2 standard deviations away from the property mean.
These property values are available through the Cheméo API. A free account gives you an access key.