Chemical Properties of 1,3-bromomethoxypropane

InChI

InChI=1S/C4H9BrO/c1-6-4-2-3-5/h2-4H2,1H3

InChI Key

CEVMYGZHEJSOHZ-UHFFFAOYSA-N

Formula

C4H9BrO

SMILES

COCCCBr

Molecular Weight¹

153.02

• 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

Property	Value	Unit	Source
ω	0.4227		Relay (1.0) Calculated Property
ΔfH°gas	-225.96	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	12.59	kJ/mol	Joback Calculated Property
ΔvapH°	43.88	kJ/mol	Relay (1.0) Calculated Property
IE	9.75	eV	Relay (1.0) Calculated Property
log10WS	-0.59		Relay (1.0) Calculated Property
logPoct/wat	1.418		Crippen Calculated Property
McVol	90.590	ml/mol	McGowan Calculated Property
Pc	4162.33	kPa	Joback Calculated Property
Inp	[810.70; 823.10]
Inp	823.10		NIST
Inp	810.70		NIST
Inp	823.10		NIST
Tboil	413.73	K	Relay (1.0) Calculated Property
Tc	593.98	K	Relay (1.0) Calculated Property
Tfus	188.55	K	Relay (1.0) Calculated Property
Vc	0.325	m3/kmol	Relay (1.0) Calculated Property

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	[119.73; 253.26]	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			3.29430e+01
Coefficient B			3.58820e-01
Coefficient C			-1.54200e-04
Coefficient D			1.57000e-08
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	119.73	J/mol×K	273.00	Calculated Property
Cp,gas	141.28	J/mol×K	353.78	Calculated Property
Cp,gas	161.04	J/mol×K	434.56	Calculated Property
Cp,gas	179.05	J/mol×K	515.33	Calculated Property
Cp,gas	195.37	J/mol×K	596.11	Calculated Property
Cp,gas	210.04	J/mol×K	676.89	Calculated Property
Cp,gas	223.12	J/mol×K	757.67	Calculated Property
Cp,gas	234.65	J/mol×K	838.44	Calculated Property
Cp,gas	244.68	J/mol×K	919.22	Calculated Property
Cp,gas	253.26	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0028309; 0.0002890]	Pa×s	[216.87; 396.00]	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			-1.09114e+01
Coefficient B			1.09395e+03
Coefficient C			0.00000e+00
Coefficient D			0.00000e+00
Coefficient E			0.00000e+00
Temperature range, min.			216.87
Temperature range, max.			396.00
η	0.0028309	Pa×s	216.87	Calculated Property
η	0.0018525	Pa×s	236.77	Calculated Property
η	0.0012947	Pa×s	256.68	Calculated Property
η	0.0009527	Pa×s	276.58	Calculated Property
η	0.0007306	Pa×s	296.48	Calculated Property
η	0.0005792	Pa×s	316.39	Calculated Property
η	0.0004720	Pa×s	336.29	Calculated Property
η	0.0003936	Pa×s	356.19	Calculated Property
η	0.0003345	Pa×s	376.10	Calculated Property
η	0.0002890	Pa×s	396.00	Calculated Property

Similar Compounds

Find more compounds similar to 1,3-bromomethoxypropane.

Sources

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

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