Chemical Properties of 1,3-Dichloroisopropyl acetate

InChI

InChI=1S/C5H8Cl2O2/c1-4(8)9-5(2,7)3-6/h3H2,1-2H3

InChI Key

IRHULXVERSLUEJ-UHFFFAOYSA-N

Formula

C5H8Cl2O2

SMILES

CC(=O)OC(C)(Cl)CCl

Molecular Weight¹

171.02

• ω : Acentric Factor.
• C_p,gas : Ideal gas 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_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.
• 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	0.4025		Relay (1.0) Calculated Property
ΔfG°	-263.72	kJ/mol	Joback Calculated Property
ΔfH°gas	-571.54	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	12.47	kJ/mol	Joback Calculated Property
ΔvapH°	51.68	kJ/mol	Relay (1.0) Calculated Property
IE	10.44	eV	Relay (1.0) Calculated Property
log10WS	-2.07		Relay (1.0) Calculated Property
logPoct/wat	1.743		Crippen Calculated Property
McVol	113.230	ml/mol	McGowan Calculated Property
Pc	3431.89	kPa	Joback Calculated Property
Inp	[1026.00; 1026.00]
Inp	1026.00		NIST
Inp	1026.00		NIST
Tboil	446.34	K	Relay (1.0) Calculated Property
Tc	647.55	K	Relay (1.0) Calculated Property
Tfus	233.15	K	Relay (1.0) Calculated Property
Vc	0.410	m3/kmol	Relay (1.0) Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[212.59; 258.80]	J/mol×K	[461.72; 666.97]
Cp,gas	212.59	J/mol×K	461.72	Joback Calculated Property
Cp,gas	221.52	J/mol×K	495.93	Joback Calculated Property
Cp,gas	229.94	J/mol×K	530.14	Joback Calculated Property
Cp,gas	237.86	J/mol×K	564.34	Joback Calculated Property
Cp,gas	245.30	J/mol×K	598.55	Joback Calculated Property
Cp,gas	252.27	J/mol×K	632.76	Joback Calculated Property
Cp,gas	258.80	J/mol×K	666.97	Joback Calculated Property
η	[0.0003350; 0.0037813]	Pa×s	[280.53; 461.72]
η	0.0037813	Pa×s	280.53	Joback Calculated Property
η	0.0020747	Pa×s	310.73	Joback Calculated Property
η	0.0012660	Pa×s	340.93	Joback Calculated Property
η	0.0008372	Pa×s	371.12	Joback Calculated Property
η	0.0005892	Pa×s	401.32	Joback Calculated Property
η	0.0004356	Pa×s	431.52	Joback Calculated Property
η	0.0003350	Pa×s	461.72	Joback Calculated Property

Similar Compounds

Find more compounds similar to 1,3-Dichloroisopropyl acetate.

Sources

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

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