Chemical Properties of 1-Undecanol, 11-chloro, acetate

InChI

InChI=1S/C13H25ClO2/c1-13(15)16-12-10-8-6-4-2-3-5-7-9-11-14/h2-12H2,1H3

InChI Key

MLHDGBPDPWJTCG-UHFFFAOYSA-N

Formula

C13H25ClO2

SMILES

CC(=O)OCCCCCCCCCCCCl

Molecular Weight¹

248.79

Other Names

• 11-Chloroundecyl 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	0.7636		Relay (1.0) Calculated Property
ΔfG°	-263.72	kJ/mol	Joback Calculated Property
ΔfH°gas	-668.19	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	37.99	kJ/mol	Joback Calculated Property
ΔvapH°	87.99	kJ/mol	Relay (1.0) Calculated Property
IE	9.86	eV	Relay (1.0) Calculated Property
log10WS	-4.85		Relay (1.0) Calculated Property
logPoct/wat	4.299		Crippen Calculated Property
McVol	213.710	ml/mol	McGowan Calculated Property
Pc	1602.56	kPa	Joback Calculated Property
Inp	[1752.00; 1769.00]
Inp	1752.00		NIST
Inp	1759.00		NIST
Inp	1764.00		NIST
Inp	1768.00		NIST
Inp	1769.00		NIST
Inp	1752.00		NIST
I	[2285.00; 2336.00]
I	2285.00		NIST
I	2294.00		NIST
I	2311.00		NIST
I	2320.00		NIST
I	2336.00		NIST
I	2285.00		NIST
Tboil	558.58	K	Relay (1.0) Calculated Property
Tc	748.03	K	Relay (1.0) Calculated Property
Tfus	284.11	K	Relay (1.0) Calculated Property
Vc	0.820	m3/kmol	Relay (1.0) Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[541.02; 626.00]	J/mol×K	[592.69; 763.73]
Cp,gas	541.02	J/mol×K	592.69	Joback Calculated Property
Cp,gas	556.89	J/mol×K	621.20	Joback Calculated Property
Cp,gas	572.06	J/mol×K	649.70	Joback Calculated Property
Cp,gas	586.55	J/mol×K	678.21	Joback Calculated Property
Cp,gas	600.35	J/mol×K	706.72	Joback Calculated Property
Cp,gas	613.50	J/mol×K	735.23	Joback Calculated Property
Cp,gas	626.00	J/mol×K	763.73	Joback Calculated Property
η	[0.0001452; 0.0037685]	Pa×s	[308.52; 592.69]
η	0.0037685	Pa×s	308.52	Joback Calculated Property
η	0.0015261	Pa×s	355.88	Joback Calculated Property
η	0.0007643	Pa×s	403.24	Joback Calculated Property
η	0.0004426	Pa×s	450.61	Joback Calculated Property
η	0.0002844	Pa×s	497.97	Joback Calculated Property
η	0.0001973	Pa×s	545.33	Joback Calculated Property
η	0.0001452	Pa×s	592.69	Joback Calculated Property

Similar Compounds

Find more compounds similar to 1-Undecanol, 11-chloro, acetate.

Sources

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

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