Chemical Properties of Chloromethyl 2-chloroundecanoate (CAS 80418-88-8)

InChI

InChI=1S/C12H22Cl2O2/c1-2-3-4-5-6-7-8-9-11(14)12(15)16-10-13/h11H,2-10H2,1H3

InChI Key

LSNQBMHSPMRKRR-UHFFFAOYSA-N

Formula

C12H22Cl2O2

SMILES

CCCCCCCCCC(Cl)C(=O)OCCl

Molecular Weight¹

269.21

CAS

80418-88-8

Other Names

• 2-Chloroundecanoic acid, chloromethyl ester

• 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).
• log₁₀WS : Log10 of Water solubility in mol/l.
• logP_oct/wat : Octanol/Water partition coefficient.
• McVol : McGowan's characteristic volume (ml/mol).
• I_np : Non-polar retention indices.
• I : Polar retention indices.
• T_boil : Normal Boiling Point Temperature (K).
• T_fus : Normal melting (fusion) point (K).
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Property	Value	Unit	Source
ΔfH°gas	-671.61	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	36.08	kJ/mol	Joback Calculated Property
ΔvapH°	77.24	kJ/mol	Relay (1.0) Calculated Property
log10WS	-5.35		Relay (1.0) Calculated Property
logPoct/wat	4.474		Crippen Calculated Property
McVol	211.860	ml/mol	McGowan Calculated Property
Inp	[1709.00; 1722.00]
Inp	1709.00		NIST
Inp	1722.00		NIST
Inp	1712.00		NIST
Inp	1715.00		NIST
Inp	1709.00		NIST
I	[2206.00; 2224.00]
I	2206.00		NIST
I	2207.00		NIST
I	2224.00		NIST
I	2206.00		NIST
Tboil	548.98	K	Relay (1.0) Calculated Property
Tfus	281.44	K	Relay (1.0) Calculated Property

Cheméo can also estimate Critical Temperature, Critical Pressure, Critical Volume, Standard Gibbs free energy of formation, Acentric Factor, Ionization energy 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	[521.72; 600.31]	J/mol×K	[606.80; 786.50]
Cp,gas	521.72	J/mol×K	606.80	Joback Calculated Property
Cp,gas	536.58	J/mol×K	636.75	Joback Calculated Property
Cp,gas	550.71	J/mol×K	666.70	Joback Calculated Property
Cp,gas	564.13	J/mol×K	696.65	Joback Calculated Property
Cp,gas	576.87	J/mol×K	726.60	Joback Calculated Property
Cp,gas	588.92	J/mol×K	756.55	Joback Calculated Property
Cp,gas	600.31	J/mol×K	786.50	Joback Calculated Property
η	[0.0001391; 0.0043295]	Pa×s	[312.17; 606.80]
η	0.0043295	Pa×s	312.17	Joback Calculated Property
η	0.0016536	Pa×s	361.27	Joback Calculated Property
η	0.0007952	Pa×s	410.38	Joback Calculated Property
η	0.0004472	Pa×s	459.49	Joback Calculated Property
η	0.0002810	Pa×s	508.59	Joback Calculated Property
η	0.0001917	Pa×s	557.69	Joback Calculated Property
η	0.0001391	Pa×s	606.80	Joback Calculated Property

Similar Compounds

Find more compounds similar to Chloromethyl 2-chloroundecanoate.

Sources

• Cheméo Relay (1.0)
• Cheméo Relay (1.0, beta) Beta: served but experimental, data-limited and below our cross-validation release bar; the Joback value is recommended where available.
• 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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