Chemical Properties of 1-Pentanol, 5-chloro-, acetate

InChI

InChI=1S/C7H13ClO2/c1-7(9)10-6-4-2-3-5-8/h2-6H2,1H3

InChI Key

ZCYVIAZIVJNAMO-UHFFFAOYSA-N

Formula

C7H13ClO2

SMILES

CC(=O)OCCCCCCl

Molecular Weight¹

164.63

Other Names

• 5-Chloro-n-amyl acetate
• 1-Acetoxy-5-chloropentane
• 5-Chloro-1-acetoxypentane
• 5-Chloro-1-amyl acetate
• 5-Chloro-1-pentanol acetate
• 5-Chloro-1-pentyl acetate
• 5-Chloropentyl 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_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	0.5380		Relay (1.0) Calculated Property
ΔfG°	-314.24	kJ/mol	Joback Calculated Property
ΔfH°gas	-541.30	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	22.45	kJ/mol	Joback Calculated Property
ΔvapH°	59.81	kJ/mol	Relay (1.0) Calculated Property
IE	10.06	eV	Relay (1.0) Calculated Property
log10WS	-2.00		Relay (1.0) Calculated Property
logPoct/wat	1.959		Crippen Calculated Property
McVol	129.170	ml/mol	McGowan Calculated Property
Pc	2707.03	kPa	Joback Calculated Property
Inp	[1116.00; 1143.00]
Inp	1129.00		NIST
Inp	1116.00		NIST
Inp	1143.00		NIST
Inp	1129.00		NIST
Inp	1116.00		NIST
Inp	1142.00		NIST
Inp	1143.00		NIST
Inp	1129.00		NIST
Inp	1142.00		NIST
I	[1652.00; 1691.00]
I	1652.00		NIST
I	1657.00		NIST
I	1687.00		NIST
I	1691.00		NIST
I	1652.00		NIST
Tboil	475.59	K	Relay (1.0) Calculated Property
Tc	662.71	K	Relay (1.0) Calculated Property
Tfus	226.14	K	Relay (1.0) Calculated Property
Vc	0.484	m3/kmol	Relay (1.0) Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[261.17; 321.10]	J/mol×K	[455.41; 634.81]
Cp,gas	261.17	J/mol×K	455.41	Joback Calculated Property
Cp,gas	272.25	J/mol×K	485.31	Joback Calculated Property
Cp,gas	282.89	J/mol×K	515.21	Joback Calculated Property
Cp,gas	293.10	J/mol×K	545.11	Joback Calculated Property
Cp,gas	302.86	J/mol×K	575.01	Joback Calculated Property
Cp,gas	312.20	J/mol×K	604.91	Joback Calculated Property
Cp,gas	321.10	J/mol×K	634.81	Joback Calculated Property
η	[0.0002662; 0.0053076]	Pa×s	[240.90; 455.41]
η	0.0053076	Pa×s	240.90	Joback Calculated Property
η	0.0023351	Pa×s	276.65	Joback Calculated Property
η	0.0012397	Pa×s	312.40	Joback Calculated Property
η	0.0007496	Pa×s	348.15	Joback Calculated Property
η	0.0004978	Pa×s	383.91	Joback Calculated Property
η	0.0003544	Pa×s	419.66	Joback Calculated Property
η	0.0002662	Pa×s	455.41	Joback Calculated Property

Similar Compounds

Find more compounds similar to 1-Pentanol, 5-chloro-, acetate.

Sources

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

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