Chemical Properties of 5-Bromovaleric acid, decyl ester (CAS 175083-30-4)

InChI

InChI=1S/C15H29BrO2/c1-2-3-4-5-6-7-8-11-14-18-15(17)12-9-10-13-16/h2-14H2,1H3

InChI Key

GHTHELFDXOZRSL-UHFFFAOYSA-N

Formula

C15H29BrO2

SMILES

CCCCCCCCCCOC(=O)CCCCBr

Molecular Weight¹

321.29

CAS

175083-30-4

• ω : Acentric Factor.
• C_p,gas : Ideal gas heat capacity (J/mol×K).
• η : Dynamic viscosity (Pa×s).
• Δ_fH°_gas : Enthalpy of formation at standard conditions (kJ/mol).
• Δ_fusH° : Enthalpy of fusion at standard conditions (kJ/mol).
• Δ_vapH° : Enthalpy of vaporization 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).
• P_c : Critical Pressure (kPa).
• I_np : Non-polar retention indices.
• 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

Cheméo can also estimate Standard Gibbs free energy of formation for this compound, but it falls outside the models' validated range, so it is not shown here. Open the prediction tool to compute it on demand.

Correlations

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[354.01; 810.37]	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			2.28530e+01
Coefficient B			1.41222e+00
Coefficient C			-7.69000e-04
Coefficient D			1.44300e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	354.01	J/mol×K	273.00	Calculated Property
Cp,gas	432.61	J/mol×K	353.78	Calculated Property
Cp,gas	503.17	J/mol×K	434.56	Calculated Property
Cp,gas	566.14	J/mol×K	515.33	Calculated Property
Cp,gas	622.00	J/mol×K	596.11	Calculated Property
Cp,gas	671.18	J/mol×K	676.89	Calculated Property
Cp,gas	714.16	J/mol×K	757.67	Calculated Property
Cp,gas	751.38	J/mol×K	838.44	Calculated Property
Cp,gas	783.30	J/mol×K	919.22	Calculated Property
Cp,gas	810.37	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0022480; 0.0001699]	Pa×s	[360.94; 590.58]	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			-1.27396e+01
Coefficient B			2.39734e+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.			360.94
Temperature range, max.			590.58
η	0.0022480	Pa×s	360.94	Calculated Property
η	0.0014499	Pa×s	386.46	Calculated Property
η	0.0009874	Pa×s	411.97	Calculated Property
η	0.0007032	Pa×s	437.49	Calculated Property
η	0.0005199	Pa×s	463.00	Calculated Property
η	0.0003967	Pa×s	488.52	Calculated Property
η	0.0003110	Pa×s	514.04	Calculated Property
η	0.0002494	Pa×s	539.55	Calculated Property
η	0.0002041	Pa×s	565.07	Calculated Property
η	0.0001699	Pa×s	590.58	Calculated Property

Similar Compounds

Find more compounds similar to 5-Bromovaleric acid, decyl ester.

Sources

• Cheméo Relay (1.0)
• 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.