Chemical Properties of Ethanol, 1-chloro-, acetate (CAS 5912-58-3)

InChI

InChI=1S/C4H7ClO2/c1-3(5)7-4(2)6/h3H,1-2H3

InChI Key

CGKKDGMMKSOGLM-UHFFFAOYSA-N

Formula

C4H7ClO2

SMILES

CC(=O)OC(C)Cl

Molecular Weight¹

122.55

CAS

5912-58-3

Other Names

• 1-Chloroethanol acetate

• C_p,gas : Ideal gas heat capacity (J/mol×K).
• η : Dynamic viscosity (Pa×s).
• Δ_fH°_gas : 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).
• 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).
• 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).
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Property	Value	Unit	Source
ΔfH°gas	-515.97	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	11.16	kJ/mol	Joback Calculated Property
ΔvapH°	44.84	kJ/mol	Relay (1.0) Calculated Property
IE	10.45	eV	Relay (1.0) Calculated Property
log10WS	-0.98		Relay (1.0) Calculated Property
logPoct/wat	1.134		Crippen Calculated Property
McVol	86.900	ml/mol	McGowan Calculated Property
Pc	3782.33	kPa	Joback Calculated Property
Inp	[724.00; 744.00]
Inp	726.00		NIST
Inp	724.00		NIST
Inp	726.00		NIST
Inp	744.00		NIST
Inp	724.00		NIST
I	[1123.00; 1153.00]
I	1123.00		NIST
I	1130.00		NIST
I	1150.00		NIST
I	1153.00		NIST
I	1123.00		NIST
Tboil	384.54	K	Relay (1.0) Calculated Property
Tc	570.25	K	Relay (1.0) Calculated Property
Tfus	204.44	K	Relay (1.0) Calculated Property

Cheméo can also estimate Critical Volume, Standard Gibbs free energy of formation, Acentric Factor for this compound, but they fall outside the models' validated range, so they are not shown here. Open the prediction tool to compute them on demand.

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[148.86; 189.28]	J/mol×K	[386.33; 574.09]
Cp,gas	148.86	J/mol×K	386.33	Joback Calculated Property
Cp,gas	156.28	J/mol×K	417.62	Joback Calculated Property
Cp,gas	163.43	J/mol×K	448.92	Joback Calculated Property
Cp,gas	170.31	J/mol×K	480.21	Joback Calculated Property
Cp,gas	176.91	J/mol×K	511.51	Joback Calculated Property
Cp,gas	183.23	J/mol×K	542.80	Joback Calculated Property
Cp,gas	189.28	J/mol×K	574.09	Joback Calculated Property
η	[0.0003048; 0.0088264]	Pa×s	[192.09; 386.33]
η	0.0088264	Pa×s	192.09	Joback Calculated Property
η	0.0033610	Pa×s	224.46	Joback Calculated Property
η	0.0016325	Pa×s	256.84	Joback Calculated Property
η	0.0009321	Pa×s	289.21	Joback Calculated Property
η	0.0005957	Pa×s	321.58	Joback Calculated Property
η	0.0004133	Pa×s	353.96	Joback Calculated Property
η	0.0003048	Pa×s	386.33	Joback Calculated Property

Similar Compounds

Find more compounds similar to Ethanol, 1-chloro-, acetate.

Sources

• Cheméo Relay (1.0)
• Crippen Method
• Crippen Method
• Joback Method
• McGowan Method
• NIST Webbook

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