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

InChI

InChI=1S/C16H31ClO2/c1-3-12-16(17)13-10-8-6-4-5-7-9-11-14-19-15(2)18/h16H,3-14H2,1-2H3

InChI Key

CKUIHBTYJKECJA-UHFFFAOYSA-N

Formula

C16H31ClO2

SMILES

CCCC(Cl)CCCCCCCCCCOC(C)=O

Molecular Weight¹

290.87

Other Names

• 11-Chlorotetradecyl 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	0.8123		Relay (1.0) Calculated Property
ΔfH°gas	-733.74	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	42.24	kJ/mol	Joback Calculated Property
ΔvapH°	94.02	kJ/mol	Relay (1.0) Calculated Property
IE	9.73	eV	Relay (1.0) Calculated Property
log10WS	-5.69		Relay (1.0) Calculated Property
logPoct/wat	5.468		Crippen Calculated Property
McVol	255.980	ml/mol	McGowan Calculated Property
Pc	1295.79	kPa	Joback Calculated Property
Inp	[2000.00; 2005.00]
Inp	2000.00		NIST
Inp	2002.00		NIST
Inp	2005.00		NIST
Inp	2000.00		NIST
I	[2475.00; 2515.00]
I	2475.00		NIST
I	2490.00		NIST
I	2499.00		NIST
I	2515.00		NIST
Tboil	582.92	K	Relay (1.0) Calculated Property
Tc	765.96	K	Relay (1.0) Calculated Property
Tfus	279.48	K	Relay (1.0) Calculated Property
Vc	0.971	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	[703.17; 796.48]	J/mol×K	[660.89; 832.83]
Cp,gas	703.17	J/mol×K	660.89	Joback Calculated Property
Cp,gas	720.73	J/mol×K	689.55	Joback Calculated Property
Cp,gas	737.47	J/mol×K	718.20	Joback Calculated Property
Cp,gas	753.39	J/mol×K	746.86	Joback Calculated Property
Cp,gas	768.52	J/mol×K	775.51	Joback Calculated Property
Cp,gas	782.88	J/mol×K	804.17	Joback Calculated Property
Cp,gas	796.48	J/mol×K	832.83	Joback Calculated Property
η	[0.0000921; 0.0038196]	Pa×s	[327.33; 660.89]
η	0.0038196	Pa×s	327.33	Joback Calculated Property
η	0.0013082	Pa×s	382.92	Joback Calculated Property
η	0.0005879	Pa×s	438.52	Joback Calculated Property
η	0.0003163	Pa×s	494.11	Joback Calculated Property
η	0.0001929	Pa×s	549.70	Joback Calculated Property
η	0.0001288	Pa×s	605.30	Joback Calculated Property
η	0.0000921	Pa×s	660.89	Joback Calculated Property

Similar Compounds

Find more compounds similar to 1-Tetradecanol, 11-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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