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

InChI

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

InChI Key

HBRYAMJHUOXAPO-UHFFFAOYSA-N

Formula

C14H27ClO2

SMILES

CCCCCCCCCCCC(Cl)OC(C)=O

Molecular Weight¹

262.82

Other Names

• 1-Chlorododecyl acetate

• 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
ΔfH°gas	-724.55	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	37.06	kJ/mol	Joback Calculated Property
ΔvapH°	86.87	kJ/mol	Relay (1.0) Calculated Property
IE	9.97	eV	Relay (1.0) Calculated Property
log10WS	-5.58		Relay (1.0) Calculated Property
logPoct/wat	5.035		Crippen Calculated Property
McVol	227.800	ml/mol	McGowan Calculated Property
Pc	1495.35	kPa	Joback Calculated Property
Inp	[1716.00; 1718.00]
Inp	1716.00		NIST
Inp	1717.00		NIST
Inp	1718.00		NIST
Inp	1716.00		NIST
Inp	1716.00		NIST
I	[2079.00; 2099.00]
I	2097.00		NIST
I	2079.00		NIST
I	2099.00		NIST
I	2099.00		NIST
I	2097.00		NIST
Tboil	545.94	K	Relay (1.0) Calculated Property
Tc	736.32	K	Relay (1.0) Calculated Property
Tfus	274.92	K	Relay (1.0) Calculated Property
Vc	0.879	m3/kmol	Relay (1.0) Calculated Property

Cheméo can also estimate Standard Gibbs free energy of formation, Acentric Factor for this compound, but they fall outside the models' validated range, so they are not shown here. Open the prediction tool to compute them 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, 1-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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