Chemical Properties of Acetic acid, (2,4,5-trichlorophenoxy)-, octyl ester (CAS 2630-15-1)

InChI

InChI=1S/C16H21Cl3O3/c1-2-3-4-5-6-7-8-21-16(20)11-22-15-10-13(18)12(17)9-14(15)19/h9-10H,2-8,11H2,1H3

InChI Key

VXWISAHTAQYMSH-UHFFFAOYSA-N

Formula

C16H21Cl3O3

SMILES

CCCCCCCCOC(=O)COc1cc(Cl)c(Cl)cc1Cl

Molecular Weight¹

367.69

CAS

2630-15-1

Other Names

• Octyl 2-(2,4,5-trichlorophenoxy)acetate
• octyl (2,4,5-trichlorophenoxy)acetate
• 2,4,5-Trichlorophenoxyacetic acid, octyl ester

• 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).
• Δ_vapH : Enthalpy of vaporization at a given temperature (kJ/mol).
• 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.
• 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
ΔfG°	-207.35	kJ/mol	Joback Calculated Property
ΔfH°gas	-595.69	kJ/mol	Joback Calculated Property
ΔfusH°	46.64	kJ/mol	Joback Calculated Property
ΔvapH°	80.19	kJ/mol	Joback Calculated Property
log10WS	-6.28		Crippen Calculated Property
logPoct/wat	5.929		Crippen Calculated Property
McVol	262.570	ml/mol	McGowan Calculated Property
Pc	1537.87	kPa	Joback Calculated Property
Inp	[2511.00; 2511.00]
Inp	2511.00		NIST
Inp	2511.00		NIST
Tboil	818.10	K	Joback Calculated Property
Tc	1026.39	K	Joback Calculated Property
Tfus	518.21	K	Joback Calculated Property
Vc	1.012	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[709.05; 774.38]	J/mol×K	[818.10; 1026.39]
Cp,gas	709.05	J/mol×K	818.10	Joback Calculated Property
Cp,gas	722.31	J/mol×K	852.81	Joback Calculated Property
Cp,gas	734.61	J/mol×K	887.53	Joback Calculated Property
Cp,gas	745.96	J/mol×K	922.24	Joback Calculated Property
Cp,gas	756.36	J/mol×K	956.96	Joback Calculated Property
Cp,gas	765.83	J/mol×K	991.67	Joback Calculated Property
Cp,gas	774.38	J/mol×K	1026.39	Joback Calculated Property
η	[0.0000661; 0.0004467]	Pa×s	[518.21; 818.10]
η	0.0004467	Pa×s	518.21	Joback Calculated Property
η	0.0002824	Pa×s	568.19	Joback Calculated Property
η	0.0001923	Pa×s	618.17	Joback Calculated Property
η	0.0001387	Pa×s	668.15	Joback Calculated Property
η	0.0001047	Pa×s	718.14	Joback Calculated Property
η	0.0000820	Pa×s	768.12	Joback Calculated Property
η	0.0000661	Pa×s	818.10	Joback Calculated Property
ΔvapH	92.20	kJ/mol	517.50	NIST

Similar Compounds

Find more compounds similar to Acetic acid, (2,4,5-trichlorophenoxy)-, octyl ester.

Sources

• Crippen Method
• Crippen Method
• Joback Method
• McGowan Method
• NIST Webbook

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