Chemical Properties of 1-Propanol, 3-chloro-, acetate

InChI

InChI=1S/C5H9ClO2/c1-5(7)8-4-2-3-6/h2-4H2,1H3

InChI Key

KPOHQIPNNIMWRL-UHFFFAOYSA-N

Formula

C5H9ClO2

SMILES

CC(=O)OCCCCl

Molecular Weight¹

136.58

Other Names

• «gamma»-Chloropropyl acetate
• 3-Chloropropyl acetate
• 3-Chloropropanol acetate
• 3-Chlorprop-1-ylacetat
• 1-Propanol, 3-chloro-, 1-acetate

• 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.
• I : Polar retention indices.
• T_boil : Normal Boiling Point Temperature (K).
• T_boilr : Boiling point at reduced pressure (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	0.4446		Relay (1.0) Calculated Property
ΔfG°	-331.08	kJ/mol	Joback Calculated Property
ΔfH°gas	-494.58	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	17.27	kJ/mol	Joback Calculated Property
ΔvapH°	50.08	kJ/mol	Relay (1.0) Calculated Property
IE	10.21	eV	Relay (1.0) Calculated Property
log10WS	-0.93		Relay (1.0) Calculated Property
logPoct/wat	1.178		Crippen Calculated Property
McVol	100.990	ml/mol	McGowan Calculated Property
Pc	3341.24	kPa	Joback Calculated Property
Inp	[895.00; 924.00]
Inp	902.00		NIST
Inp	916.00		NIST
Inp	902.00		NIST
Inp	895.00		NIST
Inp	924.00		NIST
Inp	916.00		NIST
Inp	922.00		NIST
I	[1414.00; 1425.00]
I	1414.00		NIST
I	1419.00		NIST
I	1418.00		NIST
I	1425.00		NIST
Tboil	438.66	K	Relay (1.0) Calculated Property
Tc	625.33	K	Relay (1.0) Calculated Property
Tfus	200.63	K	Relay (1.0) Calculated Property
Vc	0.374	m3/kmol	Relay (1.0) Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[183.94; 230.72]	J/mol×K	[409.65; 591.87]
Cp,gas	183.94	J/mol×K	409.65	Joback Calculated Property
Cp,gas	192.54	J/mol×K	440.02	Joback Calculated Property
Cp,gas	200.82	J/mol×K	470.39	Joback Calculated Property
Cp,gas	208.77	J/mol×K	500.76	Joback Calculated Property
Cp,gas	216.41	J/mol×K	531.13	Joback Calculated Property
Cp,gas	223.73	J/mol×K	561.50	Joback Calculated Property
Cp,gas	230.72	J/mol×K	591.87	Joback Calculated Property
η	[0.0003022; 0.0053321]	Pa×s	[218.36; 409.65]
η	0.0053321	Pa×s	218.36	Joback Calculated Property
η	0.0024366	Pa×s	250.24	Joback Calculated Property
η	0.0013290	Pa×s	282.12	Joback Calculated Property
η	0.0008198	Pa×s	314.00	Joback Calculated Property
η	0.0005529	Pa×s	345.89	Joback Calculated Property
η	0.0003985	Pa×s	377.77	Joback Calculated Property
η	0.0003022	Pa×s	409.65	Joback Calculated Property

Pressure Dependent Properties

Similar Compounds

Find more compounds similar to 1-Propanol, 3-chloro-, acetate.

Sources

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

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