Chemical Properties of 1-Hexadecanol, 2-chloro, acetate

InChI

InChI=1S/C18H35ClO2/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-18(19)16-21-17(2)20/h18H,3-16H2,1-2H3

InChI Key

PNLCMADQNISDJC-UHFFFAOYSA-N

Formula

C18H35ClO2

SMILES

CCCCCCCCCCCCCCC(Cl)COC(C)=O

Molecular Weight¹

318.92

Other Names

• 2-Chlorohexadecyl acetate

• 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	0.8820		Relay (1.0) Calculated Property
ΔfH°gas	-778.90	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	47.42	kJ/mol	Joback Calculated Property
ΔvapH°	104.42	kJ/mol	Relay (1.0) Calculated Property
IE	9.85	eV	Relay (1.0) Calculated Property
log10WS	-6.64		Relay (1.0) Calculated Property
logPoct/wat	6.248		Crippen Calculated Property
McVol	284.160	ml/mol	McGowan Calculated Property
Pc	1133.67	kPa	Joback Calculated Property
Inp	[2147.00; 2148.00]
Inp	2147.00		NIST
Inp	2148.00		NIST
Inp	2147.00		NIST
I	[2583.00; 2601.00]
I	2583.00		NIST
I	2592.00		NIST
I	2601.00		NIST
I	2583.00		NIST
Tboil	596.83	K	Relay (1.0) Calculated Property
Tc	783.67	K	Relay (1.0) Calculated Property
Tfus	293.81	K	Relay (1.0) Calculated Property
Vc	1.089	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	[817.33; 914.28]	J/mol×K	[706.65; 879.30]
Cp,gas	817.33	J/mol×K	706.65	Joback Calculated Property
Cp,gas	835.67	J/mol×K	735.43	Joback Calculated Property
Cp,gas	853.10	J/mol×K	764.20	Joback Calculated Property
Cp,gas	869.66	J/mol×K	792.98	Joback Calculated Property
Cp,gas	885.36	J/mol×K	821.75	Joback Calculated Property
Cp,gas	900.23	J/mol×K	850.53	Joback Calculated Property
Cp,gas	914.28	J/mol×K	879.30	Joback Calculated Property
η	[0.0000699; 0.0029952]	Pa×s	[349.87; 706.65]
η	0.0029952	Pa×s	349.87	Joback Calculated Property
η	0.0010159	Pa×s	409.33	Joback Calculated Property
η	0.0004533	Pa×s	468.80	Joback Calculated Property
η	0.0002426	Pa×s	528.26	Joback Calculated Property
η	0.0001473	Pa×s	587.72	Joback Calculated Property
η	0.0000980	Pa×s	647.19	Joback Calculated Property
η	0.0000699	Pa×s	706.65	Joback Calculated Property

Similar Compounds

Find more compounds similar to 1-Hexadecanol, 2-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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