Chemical Properties of Propane, 1-bromo-3-ethoxy-

InChI

InChI=1S/C5H11BrO/c1-2-7-5-3-4-6/h2-5H2,1H3

InChI Key

JOZWPJGRGUOZGY-UHFFFAOYSA-N

Formula

C5H11BrO

SMILES

CCOCCCBr

Molecular Weight¹

167.05

Other Names

• 3-ethoxypropyl bromide

• ω : Acentric Factor.
• C_p,gas : Ideal gas heat capacity (J/mol×K).
• η : Dynamic viscosity (Pa×s).
• Δ_fG° : Standard Gibbs free energy of formation (kJ/mol).
• 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	0.4605		Relay (1.0) Calculated Property
ΔfG°	-99.46	kJ/mol	Joback Calculated Property
ΔfH°gas	-270.68	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	15.18	kJ/mol	Joback Calculated Property
ΔvapH°	46.21	kJ/mol	Relay (1.0) Calculated Property
IE	9.52	eV	Relay (1.0) Calculated Property
log10WS	-1.11		Relay (1.0) Calculated Property
logPoct/wat	1.808		Crippen Calculated Property
McVol	104.680	ml/mol	McGowan Calculated Property
Pc	3690.97	kPa	Joback Calculated Property
Inp	[880.80; 890.80]
Inp	890.80		NIST
Inp	880.80		NIST
Tboil	421.65 ± 2.50	K	NIST
Tc	599.53	K	Relay (1.0) Calculated Property
Tfus	190.31	K	Relay (1.0) Calculated Property
Vc	0.381	m3/kmol	Relay (1.0) Calculated Property

Correlations

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[140.94; 304.85]	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			3.20340e+01
Coefficient B			4.53820e-01
Coefficient C			-2.08600e-04
Coefficient D			2.76000e-08
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	140.94	J/mol×K	273.00	Calculated Property
Cp,gas	167.70	J/mol×K	353.78	Calculated Property
Cp,gas	192.12	J/mol×K	434.56	Calculated Property
Cp,gas	214.28	J/mol×K	515.33	Calculated Property
Cp,gas	234.28	J/mol×K	596.11	Calculated Property
Cp,gas	252.20	J/mol×K	676.89	Calculated Property
Cp,gas	268.13	J/mol×K	757.67	Calculated Property
Cp,gas	282.16	J/mol×K	838.44	Calculated Property
Cp,gas	294.37	J/mol×K	919.22	Calculated Property
Cp,gas	304.85	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0029827; 0.0002935]	Pa×s	[228.14; 411.24]	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			-1.10227e+01
Coefficient B			1.18811e+03
Coefficient C			0.00000e+00
Coefficient D			0.00000e+00
Coefficient E			0.00000e+00
Temperature range, min.			228.14
Temperature range, max.			411.24
η	0.0029827	Pa×s	228.14	Calculated Property
η	0.0019473	Pa×s	248.48	Calculated Property
η	0.0013561	Pa×s	268.83	Calculated Property
η	0.0009937	Pa×s	289.17	Calculated Property
η	0.0007585	Pa×s	309.52	Calculated Property
η	0.0005986	Pa×s	329.86	Calculated Property
η	0.0004856	Pa×s	350.21	Calculated Property
η	0.0004031	Pa×s	370.55	Calculated Property
η	0.0003411	Pa×s	390.90	Calculated Property
η	0.0002935	Pa×s	411.24	Calculated Property

Similar Compounds

Find more compounds similar to Propane, 1-bromo-3-ethoxy-.

Sources

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

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