Chemical Properties of Butanoic acid, 4-(2,4,5-trichlorophenoxy)- (CAS 93-80-1)

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

CAS

93-80-1

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_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_fusH : Enthalpy of fusion at a given temperature (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).
• P_c : Critical Pressure (kPa).
• 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°	-289.69	kJ/mol	Joback Calculated Property
ΔfH°gas	-491.86	kJ/mol	Joback Calculated Property
ΔfusH°	34.00	kJ/mol	Joback Calculated Property
ΔvapH°	81.11	kJ/mol	Joback Calculated Property
log10WS	-4.00		Crippen Calculated Property
logPoct/wat	3.890		Crippen Calculated Property
McVol	178.030	ml/mol	McGowan Calculated Property
Pc	2875.03	kPa	Joback Calculated Property
Tboil	750.58	K	Joback Calculated Property
Tc	962.26	K	Joback Calculated Property
Tfus	[386.80; 388.10]	K
Tfus	388.10 ± 0.20	K	NIST
Tfus	386.80 ± 0.20	K	NIST
Vc	0.677	m3/kmol	Joback Calculated Property

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

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

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