Chemical Properties of 5-Bromovaleric acid, 4-chlorophenyl ester

InChI

InChI=1S/C11H12BrClO2/c12-8-2-1-3-11(14)15-10-6-4-9(13)5-7-10/h4-7H,1-3,8H2

InChI Key

IMWJAQXFZRMLJX-UHFFFAOYSA-N

Formula

C11H12BrClO2

SMILES

O=C(CCCCBr)Oc1ccc(Cl)cc1

Molecular Weight¹

291.57

• 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).
• 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).
• I_np : Non-polar retention indices.
• 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°	31.75	kJ/mol	Joback Calculated Property
IE	8.66	eV	Relay (1.0) Calculated Property
log10WS	-4.48		Relay (1.0) Calculated Property
logPoct/wat	3.811		Crippen Calculated Property
McVol	179.270	ml/mol	McGowan Calculated Property
Inp	[1879.00; 1879.00]
Inp	1879.00		NIST
Inp	1879.00		NIST
Tboil	588.64	K	Relay (1.0) Calculated Property
Tfus	314.41	K	Relay (1.0) Calculated Property

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 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	[227.86; 490.71]	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			1.97740e+01
Coefficient B			9.00600e-01
Coefficient C			-5.35960e-04
Coefficient D			1.06300e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	227.86	J/mol×K	273.00	Calculated Property
Cp,gas	276.01	J/mol×K	353.78	Calculated Property
Cp,gas	318.65	J/mol×K	434.56	Calculated Property
Cp,gas	356.10	J/mol×K	515.33	Calculated Property
Cp,gas	388.70	J/mol×K	596.11	Calculated Property
Cp,gas	416.78	J/mol×K	676.89	Calculated Property
Cp,gas	440.69	J/mol×K	757.67	Calculated Property
Cp,gas	460.76	J/mol×K	838.44	Calculated Property
Cp,gas	477.32	J/mol×K	919.22	Calculated Property
Cp,gas	490.71	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0015440; 0.0001934]	Pa×s	[384.72; 608.30]	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			-1.21247e+01
Coefficient B			2.17418e+03
Coefficient C			0.00000e+00
Coefficient D			0.00000e+00
Coefficient E			0.00000e+00
Temperature range, min.			384.72
Temperature range, max.			608.30
η	0.0015440	Pa×s	384.72	Calculated Property
η	0.0010959	Pa×s	409.56	Calculated Property
η	0.0008090	Pa×s	434.40	Calculated Property
η	0.0006171	Pa×s	459.25	Calculated Property
η	0.0004840	Pa×s	484.09	Calculated Property
η	0.0003887	Pa×s	508.93	Calculated Property
η	0.0003186	Pa×s	533.77	Calculated Property
η	0.0002658	Pa×s	558.61	Calculated Property
η	0.0002252	Pa×s	583.45	Calculated Property
η	0.0001934	Pa×s	608.30	Calculated Property

Similar Compounds

Find more compounds similar to 5-Bromovaleric acid, 4-chlorophenyl 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

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.
These property values are available through the Cheméo API. A free account gives you an access key.