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.
• C_p,gas : Ideal gas heat capacity (J/mol×K).
• C_p,liquid : Liquid 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_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).
• 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).
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Property	Value	Unit	Source
ω	0.2881		Relay (1.0) Calculated Property
ΔfG°	-174.89	kJ/mol	Joback Calculated Property
ΔfH°gas	[-251.30; -244.00]	kJ/mol
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
Pc	5220.69	kPa	Joback Calculated Property
Inp	[542.00; 542.00]
Inp	542.00		NIST
Inp	542.00		NIST
Inp	542.00		NIST
Inp	542.00		NIST
Tboil	[324.00; 328.00]	K
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	498.90	K	Relay (1.0) Calculated Property
Tfus	[160.29; 161.20]	K
Tfus	160.29 ± 0.07	K	NIST
Tfus	161.20 ± 0.60	K	NIST
Vc	0.197	m3/kmol	Relay (1.0) Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[70.06; 89.90]	J/mol×K	[336.46; 525.32]
Cp,gas	70.06	J/mol×K	336.46	Joback Calculated Property
Cp,gas	73.72	J/mol×K	367.94	Joback Calculated Property
Cp,gas	77.24	J/mol×K	399.41	Joback Calculated Property
Cp,gas	80.61	J/mol×K	430.89	Joback Calculated Property
Cp,gas	83.84	J/mol×K	462.36	Joback Calculated Property
Cp,gas	86.94	J/mol×K	493.84	Joback Calculated Property
Cp,gas	89.90	J/mol×K	525.32	Joback Calculated Property
Cp,liquid	117.20	J/mol×K	298.00	NIST
η	[0.0003359; 0.0025970]	Pa×s	[192.15; 336.46]
η	0.0025970	Pa×s	192.15	Joback Calculated Property
η	0.0015279	Pa×s	216.20	Joback Calculated Property
η	0.0009996	Pa×s	240.25	Joback Calculated Property
η	0.0007065	Pa×s	264.31	Joback Calculated Property
η	0.0005291	Pa×s	288.36	Joback Calculated Property
η	0.0004143	Pa×s	312.41	Joback Calculated Property
η	0.0003359	Pa×s	336.46	Joback Calculated Property
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	30.10 ± 0.42	kJ/mol	323.90	NIST

Correlations

Property	Value	Unit	Temperature (K)	Source
Pvap	[1.33; 202.64]	kPa	[239.34; 346.00]	The Yaws Handbook of Vapor Pressure
Equation			ln(Pvp) = A + B/(T + C)
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

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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