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

InChI

InChI=1S/C14H27ClO2/c1-3-4-5-6-7-8-9-10-11-14(15)12-17-13(2)16/h14H,3-12H2,1-2H3

InChI Key

UGWHCOHGCWDTDQ-UHFFFAOYSA-N

Formula

C14H27ClO2

SMILES

CCCCCCCCCCC(Cl)COC(C)=O

Molecular Weight¹

262.82

Other Names

• 2-Chlorododecyl 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	0.7396		Relay (1.0) Calculated Property
ΔfH°gas	-695.20	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	37.06	kJ/mol	Joback Calculated Property
ΔvapH°	86.82	kJ/mol	Relay (1.0) Calculated Property
IE	9.77	eV	Relay (1.0) Calculated Property
log10WS	-5.25		Relay (1.0) Calculated Property
logPoct/wat	4.688		Crippen Calculated Property
McVol	227.800	ml/mol	McGowan Calculated Property
Pc	1495.35	kPa	Joback Calculated Property
Inp	[1743.00; 1747.00]
Inp	1743.00		NIST
Inp	1745.00		NIST
Inp	1747.00		NIST
Inp	1747.00		NIST
Inp	1743.00		NIST
I	[2170.00; 2183.00]
I	2170.00		NIST
I	2179.00		NIST
I	2179.00		NIST
I	2183.00		NIST
I	2170.00		NIST
Tboil	563.32	K	Relay (1.0) Calculated Property
Tc	742.27	K	Relay (1.0) Calculated Property
Tfus	271.46	K	Relay (1.0) Calculated Property
Vc	0.865	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	[593.92; 682.90]	J/mol×K	[615.13; 788.03]
Cp,gas	593.92	J/mol×K	615.13	Joback Calculated Property
Cp,gas	610.61	J/mol×K	643.95	Joback Calculated Property
Cp,gas	626.54	J/mol×K	672.76	Joback Calculated Property
Cp,gas	641.71	J/mol×K	701.58	Joback Calculated Property
Cp,gas	656.15	J/mol×K	730.40	Joback Calculated Property
Cp,gas	669.88	J/mol×K	759.21	Joback Calculated Property
Cp,gas	682.90	J/mol×K	788.03	Joback Calculated Property
η	[0.0001197; 0.0047811]	Pa×s	[304.79; 615.13]
η	0.0047811	Pa×s	304.79	Joback Calculated Property
η	0.0016559	Pa×s	356.51	Joback Calculated Property
η	0.0007503	Pa×s	408.24	Joback Calculated Property
η	0.0004062	Pa×s	459.96	Joback Calculated Property
η	0.0002490	Pa×s	511.68	Joback Calculated Property
η	0.0001669	Pa×s	563.41	Joback Calculated Property
η	0.0001197	Pa×s	615.13	Joback Calculated Property

Similar Compounds

Find more compounds similar to 1-Dodecanol, 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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