Chemical Properties of 5-Chlorovaleric acid, 3,4-dichlorophenyl ester

InChI

InChI=1S/C11H11Cl3O2/c12-6-2-1-3-11(15)16-8-4-5-9(13)10(14)7-8/h4-5,7H,1-3,6H2

InChI Key

BYNHRZMXLGSQAV-UHFFFAOYSA-N

Formula

C11H11Cl3O2

SMILES

O=C(CCCCCl)Oc1ccc(Cl)c(Cl)c1

Molecular Weight¹

281.57

• 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).
• log₁₀WS : Log10 of Water solubility in mol/l.
• logP_oct/wat : Octanol/Water partition coefficient.
• McVol : McGowan's characteristic volume (ml/mol).
• I_np : Non-polar retention indices.
• T_boil : Normal Boiling Point Temperature (K).
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Property	Value	Unit	Source
ΔfusH°	34.47	kJ/mol	Joback Calculated Property
log10WS	-4.88		Relay (1.0) Calculated Property
logPoct/wat	4.308		Crippen Calculated Property
McVol	186.250	ml/mol	McGowan Calculated Property
Inp	[1969.00; 1969.00]
Inp	1969.00		NIST
Inp	1969.00		NIST
Tboil	580.21	K	Relay (1.0) Calculated Property

Cheméo can also estimate Normal melting (fusion) point, 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.

Correlations

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[243.23; 495.14]	J/mol×K	[273.00; 1000.00]	Joback Predicted correlation
Equation			Y = A + B·T + C·T² + D·T³ + E·T⁴ Y is Cp,gas in J/mol×K, T in K
Coefficient A			5.16640e+01
Coefficient B			8.16500e-01
Coefficient C			-4.38320e-04
Coefficient D			6.53000e-08
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	243.23	J/mol×K	273.00	Calculated Property
Cp,gas	288.56	J/mol×K	353.78	Calculated Property
Cp,gas	329.07	J/mol×K	434.56	Calculated Property
Cp,gas	364.97	J/mol×K	515.33	Calculated Property
Cp,gas	396.46	J/mol×K	596.11	Calculated Property
Cp,gas	423.77	J/mol×K	676.89	Calculated Property
Cp,gas	447.08	J/mol×K	757.67	Calculated Property
Cp,gas	466.61	J/mol×K	838.44	Calculated Property
Cp,gas	482.56	J/mol×K	919.22	Calculated Property
Cp,gas	495.14	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0012987; 0.0001859]	Pa×s	[397.28; 615.10]	Joback Predicted correlation
Equation			Y = exp(A + B/T + C·ln(T) + D·T^E) Y is η in Pa×s, T in K
Coefficient A			-1.21356e+01
Coefficient B			2.18078e+03
Coefficient C			0.00000e+00
Coefficient D			0.00000e+00
Coefficient E			0.00000e+00
Comment			Liquid phase. Joback/Reid (1987), valid from Tf to 0.7·Tc.
Temperature range, min.			397.28
Temperature range, max.			615.10
η	0.0012987	Pa×s	397.28	Calculated Property
η	0.0009476	Pa×s	421.48	Calculated Property
η	0.0007155	Pa×s	445.68	Calculated Property
η	0.0005561	Pa×s	469.89	Calculated Property
η	0.0004430	Pa×s	494.09	Calculated Property
η	0.0003605	Pa×s	518.29	Calculated Property
η	0.0002988	Pa×s	542.49	Calculated Property
η	0.0002517	Pa×s	566.70	Calculated Property
η	0.0002150	Pa×s	590.90	Calculated Property
η	0.0001859	Pa×s	615.10	Calculated Property

Similar Compounds

Find more compounds similar to 5-Chlorovaleric acid, 3,4-dichlorophenyl ester.

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

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