Chemical Properties of Dichloroacetic acid, hexyl ester (CAS 37079-04-2)

InChI

InChI=1S/C8H14Cl2O2/c1-2-3-4-5-6-12-8(11)7(9)10/h7H,2-6H2,1H3

InChI Key

WZSTYEOGVNOGKU-UHFFFAOYSA-N

Formula

C8H14Cl2O2

SMILES

CCCCCCOC(=O)C(Cl)Cl

Molecular Weight¹

213.10

CAS

37079-04-2

Other Names

• 1-Hexanol, dichloroacetate
• Hexyl dichloroacetate

• ω : Acentric Factor.
• C_p,gas : Ideal gas heat capacity (J/mol×K).
• η : Dynamic viscosity (Pa×s).
• Δ_fG° : Standard Gibbs free energy of formation (kJ/mol).
• 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	0.5587		Relay (1.0) Calculated Property
ΔfG°	-243.74	kJ/mol	Joback Calculated Property
ΔfH°gas	-551.03	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	24.13	kJ/mol	Joback Calculated Property
ΔvapH°	58.40	kJ/mol	Relay (1.0) Calculated Property
IE	10.47	eV	Relay (1.0) Calculated Property
log10WS	-3.25		Relay (1.0) Calculated Property
logPoct/wat	2.914		Crippen Calculated Property
McVol	155.500	ml/mol	McGowan Calculated Property
Pc	2485.07	kPa	Joback Calculated Property
Inp	[1260.00; 1298.00]
Inp	1260.00		NIST
Inp	1270.00		NIST
Inp	1270.00		NIST
Inp	1270.00		NIST
Inp	1273.00		NIST
Inp	1268.00		NIST
Inp	1278.00		NIST
Inp	Outlier 1298.00		NIST
Inp	1267.00		NIST
Inp	1285.50		NIST
I	[1749.00; 1759.00]
I	1749.00		NIST
I	1751.00		NIST
I	1759.00		NIST
Tboil	491.25	K	Relay (1.0) Calculated Property
Tc	687.72	K	Relay (1.0) Calculated Property
Tfus	237.68	K	Relay (1.0) Calculated Property
Vc	0.574	m3/kmol	Relay (1.0) Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[334.71; 396.95]	J/mol×K	[533.15; 722.96]
Cp,gas	334.71	J/mol×K	533.15	Joback Calculated Property
Cp,gas	346.37	J/mol×K	564.79	Joback Calculated Property
Cp,gas	357.50	J/mol×K	596.42	Joback Calculated Property
Cp,gas	368.12	J/mol×K	628.06	Joback Calculated Property
Cp,gas	378.23	J/mol×K	659.69	Joback Calculated Property
Cp,gas	387.84	J/mol×K	691.33	Joback Calculated Property
Cp,gas	396.95	J/mol×K	722.96	Joback Calculated Property
η	[0.0002408; 0.0035993]	Pa×s	[296.92; 533.15]
η	0.0035993	Pa×s	296.92	Joback Calculated Property
η	0.0017614	Pa×s	336.29	Joback Calculated Property
η	0.0010012	Pa×s	375.66	Joback Calculated Property
η	0.0006335	Pa×s	415.03	Joback Calculated Property
η	0.0004339	Pa×s	454.41	Joback Calculated Property
η	0.0003157	Pa×s	493.78	Joback Calculated Property
η	0.0002408	Pa×s	533.15	Joback Calculated Property

Similar Compounds

Find more compounds similar to Dichloroacetic acid, hexyl ester.

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.
Outlier This icon means that the value is more than 2 standard deviations away from the property mean.