Chemical Properties of Butanoic acid, 4-(2,4,5-trichlorophenoxy)-

InChI

InChI=1S/C10H9Cl3O3/c11-6-4-8(13)9(5-7(6)12)16-3-1-2-10(14)15/h4-5H,1-3H2,(H,14,15)

InChI Key

RTWCZQFXFMXXKP-UHFFFAOYSA-N

Formula

C10H9Cl3O3

SMILES

O=C(O)CCCOc1cc(Cl)c(Cl)cc1Cl

Molecular Weight¹

283.54

Other Names

• Butyric acid, 4-(2,4,5-trichlorophenoxy)-
• «gamma»-(2,4,5-Trichlorophenoxy)butyric acid
• 2,4,5-TB
• 4-(2,4,5-Trichlorophenoxy)Butyric acid
• 2,4,5-T Butyric acid
• 4-(2,4,5-Trichlorophenoxy)butanoic acid

• C_p,gas : Ideal gas heat capacity (J/mol×K).
• η : Dynamic viscosity (Pa×s).
• Δ_fusH° : Enthalpy of fusion at standard conditions (kJ/mol).
• Δ_fusH : Enthalpy of fusion 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).
• 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
ΔfusH°	34.00	kJ/mol	Joback Calculated Property
log10WS	-4.10		Relay (1.0) Calculated Property
logPoct/wat	3.890		Crippen Calculated Property
McVol	178.030	ml/mol	McGowan Calculated Property
Tboil	599.86	K	Relay (1.0) Calculated Property
Tfus	[386.80; 388.10]	K
Tfus	388.10 ± 0.20	K	NIST
Tfus	386.80 ± 0.20	K	NIST

Cheméo can also estimate Critical Temperature, Critical Pressure, Critical Volume, Enthalpy of formation at standard conditions, Enthalpy of vaporization at standard conditions, 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	[412.17; 453.38]	J/mol×K	[750.58; 962.26]
Cp,gas	412.17	J/mol×K	750.58	Joback Calculated Property
Cp,gas	420.49	J/mol×K	785.86	Joback Calculated Property
Cp,gas	428.22	J/mol×K	821.14	Joback Calculated Property
Cp,gas	435.36	J/mol×K	856.42	Joback Calculated Property
Cp,gas	441.93	J/mol×K	891.70	Joback Calculated Property
Cp,gas	447.93	J/mol×K	926.98	Joback Calculated Property
Cp,gas	453.38	J/mol×K	962.26	Joback Calculated Property
η	[0.0000384; 0.0005473]	Pa×s	[489.18; 750.58]
η	0.0005473	Pa×s	489.18	Joback Calculated Property
η	0.0002932	Pa×s	532.75	Joback Calculated Property
η	0.0001726	Pa×s	576.31	Joback Calculated Property
η	0.0001095	Pa×s	619.88	Joback Calculated Property
η	0.0000737	Pa×s	663.45	Joback Calculated Property
η	0.0000521	Pa×s	707.01	Joback Calculated Property
η	0.0000384	Pa×s	750.58	Joback Calculated Property
ΔfusH	30.28	kJ/mol	386.70	NIST

Similar Compounds

Find more compounds similar to Butanoic acid, 4-(2,4,5-trichlorophenoxy)-.

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.