Chemical Properties of Heptane, 1,7-dibromo- (CAS 4549-31-9)

InChI

InChI=1S/C7H14Br2/c8-6-4-2-1-3-5-7-9/h1-7H2

InChI Key

LVWSZGCVEZRFBT-UHFFFAOYSA-N

Formula

C7H14Br2

SMILES

BrCCCCCCCBr

Molecular Weight¹

257.99

CAS

4549-31-9

Other Names

• 1,7-Dibromoheptane
• Dibromo-1,7 heptane
• Heptamethylene dibromide

• 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).
• 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).
• I_np : Non-polar retention indices.
• I : 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
ΔfG°	36.70	kJ/mol	Joback Calculated Property
ΔfH°gas	-135.15	kJ/mol	Joback Calculated Property
ΔfusH°	24.46	kJ/mol	Joback Calculated Property
ΔvapH°	44.05	kJ/mol	Joback Calculated Property
log10WS	-3.62		Crippen Calculated Property
logPoct/wat	3.727		Crippen Calculated Property
McVol	144.490	ml/mol	McGowan Calculated Property
Pc	3257.86	kPa	Joback Calculated Property
Inp	[1397.00; 1420.00]
Inp	1420.00		NIST
Inp	1397.00		NIST
Inp	1420.00		NIST
I	1863.00		NIST
Tboil	[528.00; 536.20]	K
Tboil	528.20	K	NIST
Tboil	528.00	K	NIST
Tboil	536.20	K	NIST
Tc	690.76	K	Joback Calculated Property
Tfus	288.25	K	Joback Calculated Property
Vc	0.551	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[275.23; 335.42]	J/mol×K	[491.88; 690.76]
Cp,gas	275.23	J/mol×K	491.88	Joback Calculated Property
Cp,gas	286.69	J/mol×K	525.03	Joback Calculated Property
Cp,gas	297.54	J/mol×K	558.17	Joback Calculated Property
Cp,gas	307.81	J/mol×K	591.32	Joback Calculated Property
Cp,gas	317.52	J/mol×K	624.46	Joback Calculated Property
Cp,gas	326.72	J/mol×K	657.61	Joback Calculated Property
Cp,gas	335.42	J/mol×K	690.76	Joback Calculated Property
η	[0.0003392; 0.0030933]	Pa×s	[288.25; 491.88]
η	0.0030933	Pa×s	288.25	Joback Calculated Property
η	0.0017626	Pa×s	322.19	Joback Calculated Property
η	0.0011180	Pa×s	356.13	Joback Calculated Property
η	0.0007676	Pa×s	390.06	Joback Calculated Property
η	0.0005597	Pa×s	424.00	Joback Calculated Property
η	0.0004277	Pa×s	457.94	Joback Calculated Property
η	0.0003392	Pa×s	491.88	Joback Calculated Property

Correlations

Property	Value	Unit	Temperature (K)	Source
Pvap	[1.33; 202.65]	kPa	[384.92; 564.74]	The Yaw...
Equation			ln(Pvp) = A + B/(T + C)
Coefficient A			1.37785e+01
Coefficient B			-4.08857e+03
Coefficient C			-8.18600e+01
Temperature range, min.			384.92
Temperature range, max.			564.74
Pvap	1.33	kPa	384.92	Calculated Property
Pvap	3.07	kPa	404.90	Calculated Property
Pvap	6.42	kPa	424.88	Calculated Property
Pvap	12.37	kPa	444.86	Calculated Property
Pvap	22.26	kPa	464.84	Calculated Property
Pvap	37.80	kPa	484.82	Calculated Property
Pvap	61.04	kPa	504.80	Calculated Property
Pvap	94.41	kPa	524.78	Calculated Property
Pvap	140.62	kPa	544.76	Calculated Property
Pvap	202.65	kPa	564.74	Calculated Property

Similar Compounds

Find more compounds similar to Heptane, 1,7-dibromo-.

Sources

• Crippen Method
• Crippen Method
• Joback Method
• McGowan Method
• NIST Webbook
• The Yaws Handbook of Vapor Pressure

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