Chemical Properties of Acetyl chloride (CAS 75-36-5)

InChI

InChI=1S/C2H3ClO/c1-2(3)4/h1H3

InChI Key

WETWJCDKMRHUPV-UHFFFAOYSA-N

Formula

C2H3ClO

SMILES

CC(=O)Cl

Molecular Weight¹

78.50

CAS

75-36-5

Other Names

• Acetic acid chloride
• Acetic acid monochloride
• Acetic chloride
• CH3COCl
• Ethanoyl chloride
• Rcra waste number U006
• UN 1717
• UN1717 (DOT)

• ω : Acentric Factor.
• T_ig : Autoignition Temperature (K).
• C_p,gas : Ideal gas heat capacity (J/mol×K).
• C_p,liquid : Liquid phase heat capacity (J/mol×K).
• μ : Dipole Moment (debye).
• η : Dynamic viscosity (Pa×s).
• T_flash,oc : Flash Point (Open Cup Method) (K).
• 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).
• NFPA Fire : NFPA Fire Rating.
• NFPA Health : NFPA Health Rating.
• NFPA Safety : NFPA Safety Rating.
• P_c : Critical Pressure (kPa).
• P_vap : Vapor pressure (kPa).
• ρ_l : Liquid Density (kg/m³).
• I_np : Non-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).
• Z_c : Critical Compressibility.
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Property	Value	Unit	Source
ω	0.3440		KDB
Tig	663.15	K	KDB
μ	2.40	debye	KDB
Tflash,oc	277.59	K	KDB
ΔfG°	-206.40	kJ/mol	KDB
ΔfH°gas	[-251.30; -244.00]	kJ/mol
ΔfH°gas	-244.10	kJ/mol	KDB
ΔfH°gas	-251.30 ± 0.50	kJ/mol	NIST
ΔfH°gas	-244.00 ± 0.80	kJ/mol	NIST
ΔfH°gas	-246.60	kJ/mol	NIST
ΔfH°liquid	[-275.20; -272.00]	kJ/mol
ΔfH°liquid	-272.00 ± 0.50	kJ/mol	NIST
ΔfH°liquid	-274.00 ± 0.59	kJ/mol	NIST
ΔfH°liquid	-275.20 ± 0.20	kJ/mol	NIST
ΔfusH°	6.73	kJ/mol	Joback Calculated Property
ΔvapH°	[23.80; 28.60]	kJ/mol
ΔvapH°	23.80 ± 0.20	kJ/mol	NIST
ΔvapH°	28.60	kJ/mol	NIST
IE	[10.78; 11.08]	eV
IE	10.82 ± 0.04	eV	NIST
IE	10.78	eV	NIST
IE	10.85 ± 0.05	eV	NIST
IE	11.05	eV	NIST
IE	11.08 ± 0.06	eV	NIST
IE	11.02 ± 0.05	eV	NIST
IE	11.03	eV	NIST
IE	11.03	eV	NIST
log10WS	-0.11		Relay (1.0) Calculated Property
logPoct/wat	0.772		Crippen Calculated Property
McVol	52.850	ml/mol	McGowan Calculated Property
NFPA Fire	3		KDB
NFPA Health	3		KDB
NFPA Safety	2		KDB
Pc	5870.00	kPa	KDB
Inp	[542.00; 542.00]
Inp	542.00		NIST
Inp	542.00		NIST
Inp	542.00		NIST
Inp	542.00		NIST
Tboil	[323.90; 328.00]	K
Tboil	323.90	K	KDB
Tboil	325.20	K	NIST
Tboil	325.00 ± 4.00	K	NIST
Tboil	324.00 ± 2.00	K	NIST
Tboil	324.00 ± 3.00	K	NIST
Tboil	324.00 ± 2.00	K	NIST
Tboil	324.00 ± 2.00	K	NIST
Tboil	Outlier 328.00 ± 2.00	K	NIST
Tboil	324.10 ± 0.40	K	NIST
Tboil	324.20 ± 0.60	K	NIST
Tboil	324.40 ± 0.60	K	NIST
Tc	508.00	K	KDB
Tfus	[160.20; 161.20]	K
Tfus	160.20	K	KDB
Tfus	160.29 ± 0.07	K	NIST
Tfus	161.20 ± 0.60	K	NIST
Vc	0.204	m3/kmol	KDB
Zc	0.2835100		KDB

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,liquid	117.20	J/mol×K	298.00	NIST
ΔvapH	[24.50; 31.50]	kJ/mol	[295.50; 323.90]
ΔvapH	31.50	kJ/mol	295.50	NIST
ΔvapH	24.50	kJ/mol	298.00	NIST
ΔvapH	28.66	kJ/mol	323.90	KDB
ΔvapH	30.10 ± 0.42	kJ/mol	323.90	NIST
ρl	1104.00	kg/m3	293.00	KDB

Correlations

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[62.24; 119.80]	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			2.13200e+01
Coefficient B			1.72620e-01
Coefficient C			-8.67000e-05
Coefficient D			1.25600e-08
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	62.24	J/mol×K	273.00	Calculated Property
Cp,gas	72.09	J/mol×K	353.78	Calculated Property
Cp,gas	80.99	J/mol×K	434.56	Calculated Property
Cp,gas	88.97	J/mol×K	515.33	Calculated Property
Cp,gas	96.07	J/mol×K	596.11	Calculated Property
Cp,gas	102.34	J/mol×K	676.89	Calculated Property
Cp,gas	107.80	J/mol×K	757.67	Calculated Property
Cp,gas	112.51	J/mol×K	838.44	Calculated Property
Cp,gas	116.49	J/mol×K	919.22	Calculated Property
Cp,gas	119.80	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0066354; 0.0002901]	Pa×s	[160.56; 355.60]	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			-1.07219e+01
Coefficient B			9.16270e+02
Coefficient C			0.00000e+00
Coefficient D			0.00000e+00
Coefficient E			0.00000e+00
Temperature range, min.			160.56
Temperature range, max.			355.60
η	0.0066354	Pa×s	160.56	Calculated Property
η	0.0033663	Pa×s	182.23	Calculated Property
η	0.0019728	Pa×s	203.90	Calculated Property
η	0.0012811	Pa×s	225.58	Calculated Property
η	0.0008974	Pa×s	247.25	Calculated Property
η	0.0006657	Pa×s	268.92	Calculated Property
η	0.0005163	Pa×s	290.59	Calculated Property
η	0.0004148	Pa×s	312.26	Calculated Property
η	0.0003429	Pa×s	333.93	Calculated Property
η	0.0002901	Pa×s	355.60	Calculated Property

Property	Value	Unit	Temperature (K)	Source
Pvap	[1.33; 202.64]	kPa	[239.34; 346.00]	The Yaws Handbook of Vapor Pressure
Equation			ln(Y) = A + B/(T + C) Y is Pvap in kPa, T in K
Coefficient A			1.47561e+01
Coefficient B			-2.90110e+03
Coefficient C			-3.88330e+01
Temperature range, min.			239.34
Temperature range, max.			346.00
Pvap	1.33	kPa	239.34	Calculated Property
Pvap	2.99	kPa	251.19	Calculated Property
Pvap	6.15	kPa	263.04	Calculated Property
Pvap	11.78	kPa	274.89	Calculated Property
Pvap	21.20	kPa	286.74	Calculated Property
Pvap	36.16	kPa	298.60	Calculated Property
Pvap	58.86	kPa	310.45	Calculated Property
Pvap	91.99	kPa	322.30	Calculated Property
Pvap	138.71	kPa	334.15	Calculated Property
Pvap	202.64	kPa	346.00	Calculated Property
Pvap	[8.64; 102.25]	kPa	[266.86; 324.20]	NIST
Equation			ln(Y) = A + B/(T + C) Y is Pvap in kPa, T in K
Coefficient A			1.37365e+01
Coefficient B			-2.44733e+03
Coefficient C			-5.55310e+01
Reference			McDonald, Shrader, et al., 1959, 2
Temperature range, min.			266.86
Temperature range, max.			324.20
Pvap	8.64	kPa	266.86	Calculated Property
Pvap	12.12	kPa	273.23	Calculated Property
Pvap	16.68	kPa	279.60	Calculated Property
Pvap	22.56	kPa	285.97	Calculated Property
Pvap	30.03	kPa	292.34	Calculated Property
Pvap	39.36	kPa	298.72	Calculated Property
Pvap	50.89	kPa	305.09	Calculated Property
Pvap	64.97	kPa	311.46	Calculated Property
Pvap	81.95	kPa	317.83	Calculated Property
Pvap	102.25	kPa	324.20	Calculated Property
Pvap	[8.64; 102.25]	kPa	[266.86; 324.20]	NIST
Equation			ln(Y) = A + B/(T + C) Y is Pvap in kPa, T in K
Coefficient A			1.37365e+01
Coefficient B			-2.44733e+03
Coefficient C			-5.55310e+01
Reference			McDonald, Shrader, et al., 1959
Temperature range, min.			266.86
Temperature range, max.			324.20
Pvap	8.64	kPa	266.86	Calculated Property
Pvap	12.12	kPa	273.23	Calculated Property
Pvap	16.68	kPa	279.60	Calculated Property
Pvap	22.56	kPa	285.97	Calculated Property
Pvap	30.03	kPa	292.34	Calculated Property
Pvap	39.36	kPa	298.72	Calculated Property
Pvap	50.89	kPa	305.09	Calculated Property
Pvap	64.97	kPa	311.46	Calculated Property
Pvap	81.95	kPa	317.83	Calculated Property
Pvap	102.25	kPa	324.20	Calculated Property

Similar Compounds

Find more compounds similar to Acetyl chloride.

Sources

• Cheméo Relay (1.0)
• Crippen Method
• Crippen Method
• Joback Method
• KDB
• McGowan Method
• NIST Webbook
• The Yaws Handbook of Vapor Pressure

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