Chemical Properties of Heptane, 3-(bromomethyl)- (CAS 18908-66-2)

InChI

InChI=1S/C8H17Br/c1-3-5-6-8(4-2)7-9/h8H,3-7H2,1-2H3

InChI Key

NZWIYPLSXWYKLH-UHFFFAOYSA-N

Formula

C8H17Br

SMILES

CCCCC(CC)CBr

Molecular Weight¹

193.12

CAS

18908-66-2

Other Names

• 1-Bromo-2-ethylhexane
• 2-Ethylhexyl bromide
• 3-(Bromomethyl)heptane
• Hexane, 1-bromo-2-ethyl

• 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).
• P_vap : Vapor 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).
• V_c : Critical Volume (m³/kmol).
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Pressure Dependent Properties

Correlations

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[188.86; 441.66]	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			2.12500e+00
Coefficient B			8.07940e-01
Coefficient C			-4.86000e-04
Coefficient D			1.17600e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	188.86	J/mol×K	273.00	Calculated Property
Cp,gas	232.34	J/mol×K	353.78	Calculated Property
Cp,gas	271.09	J/mol×K	434.56	Calculated Property
Cp,gas	305.51	J/mol×K	515.33	Calculated Property
Cp,gas	335.96	J/mol×K	596.11	Calculated Property
Cp,gas	362.81	J/mol×K	676.89	Calculated Property
Cp,gas	386.43	J/mol×K	757.67	Calculated Property
Cp,gas	407.20	J/mol×K	838.44	Calculated Property
Cp,gas	425.49	J/mol×K	919.22	Calculated Property
Cp,gas	441.66	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0063866; 0.0003047]	Pa×s	[224.72; 443.39]	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			-1.12226e+01
Coefficient B			1.38632e+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.			224.72
Temperature range, max.			443.39
η	0.0063866	Pa×s	224.72	Calculated Property
η	0.0034983	Pa×s	249.02	Calculated Property
η	0.0021327	Pa×s	273.31	Calculated Property
η	0.0014095	Pa×s	297.61	Calculated Property
η	0.0009917	Pa×s	321.91	Calculated Property
η	0.0007330	Pa×s	346.21	Calculated Property
η	0.0005637	Pa×s	370.50	Calculated Property
η	0.0004478	Pa×s	394.80	Calculated Property
η	0.0003653	Pa×s	419.10	Calculated Property
η	0.0003047	Pa×s	443.39	Calculated Property

Property	Value	Unit	Temperature (K)	Source
Pvap	[1.33; 202.67]	kPa	[346.36; 494.12]	The Yaws Handbook of Vapor Pressure
Equation			ln(Y) = A + B/(T + C) Y is Pvap in kPa, T in K
Coefficient A			1.47604e+01
Coefficient B			-4.02200e+03
Coefficient C			-6.84600e+01
Temperature range, min.			346.36
Temperature range, max.			494.12
Pvap	1.33	kPa	346.36	Calculated Property
Pvap	2.99	kPa	362.78	Calculated Property
Pvap	6.15	kPa	379.20	Calculated Property
Pvap	11.78	kPa	395.61	Calculated Property
Pvap	21.20	kPa	412.03	Calculated Property
Pvap	36.16	kPa	428.45	Calculated Property
Pvap	58.86	kPa	444.87	Calculated Property
Pvap	92.00	kPa	461.28	Calculated Property
Pvap	138.73	kPa	477.70	Calculated Property
Pvap	202.67	kPa	494.12	Calculated Property

Similar Compounds

Find more compounds similar to Heptane, 3-(bromomethyl)-.

Sources

• Cheméo Relay (1.0)
• Crippen Method
• Crippen Method
• Joback Method
• McGowan Method
• NIST Webbook
• The Yaws Handbook of Vapor Pressure

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