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

InChI

InChI=1S/C11H11BrCl2O2/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

CVDJYPSWURIDQF-UHFFFAOYSA-N

Formula

C11H11BrCl2O2

SMILES

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

Molecular Weight¹

326.02

• 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°	35.56	kJ/mol	Joback Calculated Property
log10WS	-5.10		Relay (1.0) Calculated Property
logPoct/wat	4.464		Crippen Calculated Property
McVol	191.510	ml/mol	McGowan Calculated Property
Inp	[2074.00; 2074.00]
Inp	2074.00		NIST
Inp	2074.00		NIST
Tboil	598.28	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	[243.81; 495.94]	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			4.69640e+01
Coefficient B			8.47900e-01
Coefficient C			-4.89320e-04
Coefficient D			9.04000e-08
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	243.81	J/mol×K	273.00	Calculated Property
Cp,gas	289.69	J/mol×K	353.78	Calculated Property
Cp,gas	330.44	J/mol×K	434.56	Calculated Property
Cp,gas	366.34	J/mol×K	515.33	Calculated Property
Cp,gas	397.68	J/mol×K	596.11	Calculated Property
Cp,gas	424.74	J/mol×K	676.89	Calculated Property
Cp,gas	447.81	J/mol×K	757.67	Calculated Property
Cp,gas	467.18	J/mol×K	838.44	Calculated Property
Cp,gas	483.13	J/mol×K	919.22	Calculated Property
Cp,gas	495.94	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0010678; 0.0001783]	Pa×s	[427.16; 640.70]	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			-1.22131e+01
Coefficient B			2.29424e+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.			427.16
Temperature range, max.			640.70
η	0.0010678	Pa×s	427.16	Calculated Property
η	0.0008049	Pa×s	450.89	Calculated Property
η	0.0006241	Pa×s	474.61	Calculated Property
η	0.0004958	Pa×s	498.34	Calculated Property
η	0.0004022	Pa×s	522.07	Calculated Property
η	0.0003323	Pa×s	545.79	Calculated Property
η	0.0002789	Pa×s	569.52	Calculated Property
η	0.0002374	Pa×s	593.25	Calculated Property
η	0.0002046	Pa×s	616.98	Calculated Property
η	0.0001783	Pa×s	640.70	Calculated Property

Similar Compounds

Find more compounds similar to 5-Bromovaleric 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

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.