Chemical Properties of 1-Decanol, 3-chloro, acetate

InChI

InChI=1S/C12H23ClO2/c1-3-4-5-6-7-8-12(13)9-10-15-11(2)14/h12H,3-10H2,1-2H3

InChI Key

OISYGHDAFQKZPD-UHFFFAOYSA-N

Formula

C12H23ClO2

SMILES

CCCCCCCC(Cl)CCOC(C)=O

Molecular Weight¹

234.76

Other Names

• 3-Chlorodecyl 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	0.6629		Relay (1.0) Calculated Property
ΔfH°gas	-646.52	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	31.88	kJ/mol	Joback Calculated Property
ΔvapH°	76.50	kJ/mol	Relay (1.0) Calculated Property
IE	9.73	eV	Relay (1.0) Calculated Property
log10WS	-4.29		Relay (1.0) Calculated Property
logPoct/wat	3.907		Crippen Calculated Property
McVol	199.620	ml/mol	McGowan Calculated Property
Pc	1744.82	kPa	Joback Calculated Property
Inp	[1555.00; 1564.00]
Inp	1555.00		NIST
Inp	1561.00		NIST
Inp	1562.00		NIST
Inp	1564.00		NIST
Inp	1555.00		NIST
I	[2011.00; 2030.00]
I	2011.00		NIST
I	2014.00		NIST
I	2026.00		NIST
I	2030.00		NIST
I	2011.00		NIST
Tboil	538.92	K	Relay (1.0) Calculated Property
Tc	719.70	K	Relay (1.0) Calculated Property
Tfus	250.73	K	Relay (1.0) Calculated Property
Vc	0.750	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	[490.32; 573.80]	J/mol×K	[569.37; 744.49]
Cp,gas	490.32	J/mol×K	569.37	Joback Calculated Property
Cp,gas	505.94	J/mol×K	598.56	Joback Calculated Property
Cp,gas	520.85	J/mol×K	627.74	Joback Calculated Property
Cp,gas	535.09	J/mol×K	656.93	Joback Calculated Property
Cp,gas	548.65	J/mol×K	686.12	Joback Calculated Property
Cp,gas	561.55	J/mol×K	715.30	Joback Calculated Property
Cp,gas	573.80	J/mol×K	744.49	Joback Calculated Property
η	[0.0001530; 0.0058487]	Pa×s	[282.25; 569.37]
η	0.0058487	Pa×s	282.25	Joback Calculated Property
η	0.0020521	Pa×s	330.10	Joback Calculated Property
η	0.0009387	Pa×s	377.96	Joback Calculated Property
η	0.0005119	Pa×s	425.81	Joback Calculated Property
η	0.0003155	Pa×s	473.66	Joback Calculated Property
η	0.0002126	Pa×s	521.52	Joback Calculated Property
η	0.0001530	Pa×s	569.37	Joback Calculated Property

Similar Compounds

Find more compounds similar to 1-Decanol, 3-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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