Chemical Properties of 1-Propanol, 3-bromo- (CAS 627-18-9)

InChI

InChI=1S/C3H7BrO/c4-2-1-3-5/h5H,1-3H2

InChI Key

RQFUZUMFPRMVDX-UHFFFAOYSA-N

Formula

C3H7BrO

SMILES

OCCCBr

Molecular Weight¹

138.99

CAS

627-18-9

Other Names

• Trimethylene bromohydrin
• 1-Bromo-3-propanol
• 3-Bromo-1-propanol
• 3-Hydroxypropyl bromide
• 3-Bromopropanol-(1)
• 3-Bromopropanol
• 1-Bromo-3-hydroxypropane
• 3-bromopropan-1-ol

• 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).
• T_boil : Normal Boiling Point Temperature (K).
• T_boilr : Boiling point at reduced pressure (K).
• T_c : Critical Temperature (K).
• T_fus : Normal melting (fusion) point (K).
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Cheméo can also estimate Critical Volume, 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.

Pressure Dependent Properties

Correlations

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[95.61; 201.84]	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			1.36430e+01
Coefficient B			3.61000e-01
Coefficient C			-2.41200e-04
Coefficient D			6.84000e-08
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	95.61	J/mol×K	273.00	Calculated Property
Cp,gas	114.20	J/mol×K	353.78	Calculated Property
Cp,gas	130.58	J/mol×K	434.56	Calculated Property
Cp,gas	144.98	J/mol×K	515.33	Calculated Property
Cp,gas	157.62	J/mol×K	596.11	Calculated Property
Cp,gas	168.70	J/mol×K	676.89	Calculated Property
Cp,gas	178.45	J/mol×K	757.67	Calculated Property
Cp,gas	187.08	J/mol×K	838.44	Calculated Property
Cp,gas	194.80	J/mol×K	919.22	Calculated Property
Cp,gas	201.84	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0360361; 0.0003894]	Pa×s	[244.19; 425.19]	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			-1.39596e+01
Coefficient B			2.59729e+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.			244.19
Temperature range, max.			425.19
η	0.0360361	Pa×s	244.19	Calculated Property
η	0.0160417	Pa×s	264.30	Calculated Property
η	0.0080070	Pa×s	284.41	Calculated Property
η	0.0043808	Pa×s	304.52	Calculated Property
η	0.0025827	Pa×s	324.63	Calculated Property
η	0.0016195	Pa×s	344.74	Calculated Property
η	0.0010691	Pa×s	364.86	Calculated Property
η	0.0007371	Pa×s	384.97	Calculated Property
η	0.0005273	Pa×s	405.08	Calculated Property
η	0.0003894	Pa×s	425.19	Calculated Property

Similar Compounds

Find more compounds similar to 1-Propanol, 3-bromo-.

Sources

• Cheméo Relay (1.0)
• Crippen Method
• Crippen Method
• Joback Method
• McGowan Method
• NIST Webbook

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