Chemical Properties of 1-Pentanol, 4-chloro, acetate

InChI

InChI=1S/C7H13ClO2/c1-6(8)4-3-5-10-7(2)9/h6H,3-5H2,1-2H3

InChI Key

CQXQTMUVWFJDAE-UHFFFAOYSA-N

Formula

C7H13ClO2

SMILES

CC(=O)OCCCC(C)Cl

Molecular Weight¹

164.63

• ω : Acentric Factor.
• 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).
• V_c : Critical Volume (m³/kmol).
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Property	Value	Unit	Source
ω	0.4880		Relay (1.0) Calculated Property
ΔfH°gas	-566.14	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	18.93	kJ/mol	Joback Calculated Property
ΔvapH°	57.64	kJ/mol	Relay (1.0) Calculated Property
IE	9.99	eV	Relay (1.0) Calculated Property
log10WS	-1.79		Relay (1.0) Calculated Property
logPoct/wat	1.957		Crippen Calculated Property
McVol	129.170	ml/mol	McGowan Calculated Property
Pc	2729.71	kPa	Joback Calculated Property
Inp	[1058.00; 1089.00]
Inp	1073.00		NIST
Inp	1058.00		NIST
Inp	1089.00		NIST
Inp	1073.00		NIST
Inp	1058.00		NIST
Inp	1084.00		NIST
Inp	1089.00		NIST
Inp	1073.00		NIST
Inp	1084.00		NIST
I	[1563.00; 1594.00]
I	1563.00		NIST
I	1564.00		NIST
I	1594.00		NIST
I	1594.00		NIST
Tboil	466.96	K	Relay (1.0) Calculated Property
Tc	645.99	K	Relay (1.0) Calculated Property
Tfus	230.51	K	Relay (1.0) Calculated Property
Vc	0.479	m3/kmol	Relay (1.0) Calculated Property

Cheméo can also estimate Standard Gibbs free energy of formation for this compound, but it falls outside the models' validated range, so it is not shown here. Open the prediction tool to compute it on demand.

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[261.30; 322.79]	J/mol×K	[454.97; 638.34]
Cp,gas	261.30	J/mol×K	454.97	Joback Calculated Property
Cp,gas	272.71	J/mol×K	485.53	Joback Calculated Property
Cp,gas	283.65	J/mol×K	516.09	Joback Calculated Property
Cp,gas	294.13	J/mol×K	546.66	Joback Calculated Property
Cp,gas	304.14	J/mol×K	577.22	Joback Calculated Property
Cp,gas	313.69	J/mol×K	607.78	Joback Calculated Property
Cp,gas	322.79	J/mol×K	638.34	Joback Calculated Property
η	[0.0002538; 0.0083683]	Pa×s	[225.90; 454.97]
η	0.0083683	Pa×s	225.90	Joback Calculated Property
η	0.0030670	Pa×s	264.08	Joback Calculated Property
η	0.0014485	Pa×s	302.26	Joback Calculated Property
η	0.0008094	Pa×s	340.44	Joback Calculated Property
η	0.0005087	Pa×s	378.61	Joback Calculated Property
η	0.0003480	Pa×s	416.79	Joback Calculated Property
η	0.0002538	Pa×s	454.97	Joback Calculated Property

Similar Compounds

Find more compounds similar to 1-Pentanol, 4-chloro, acetate.

Sources

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

Note: Cheméo is only indexing the data, follow the source links to retrieve the latest data. The source is also providing more information like the publication year, authors and more. Take the time to validate and double check the source of the data.
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