Chemical Properties of Heptane, 3-bromo- (CAS 1974-05-6)

InChI

InChI=1S/C7H15Br/c1-3-5-6-7(8)4-2/h7H,3-6H2,1-2H3

InChI Key

MLHXKYLLJRLHGH-UHFFFAOYSA-N

Formula

C7H15Br

SMILES

CCCCC(Br)CC

Molecular Weight¹

179.10

CAS

1974-05-6

Other Names

• 3-Bromoheptane

• 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°	19.94	kJ/mol	Joback Calculated Property
ΔfH°gas	-166.76	kJ/mol	Joback Calculated Property
ΔfusH°	15.65	kJ/mol	Joback Calculated Property
ΔvapH°	37.22	kJ/mol	Joback Calculated Property
log10WS	-3.30		Crippen Calculated Property
logPoct/wat	3.350		Crippen Calculated Property
McVol	126.990	ml/mol	McGowan Calculated Property
Pc	3042.32	kPa	Joback Calculated Property
Inp	[988.00; 1048.00]
Inp	1036.00		NIST
Inp	1048.00		NIST
Inp	1022.00		NIST
Inp	988.00		NIST
Inp	988.00		NIST
I	[1156.00; 1181.00]
I	1163.00		NIST
I	1181.00		NIST
I	1156.00		NIST
Tboil	425.28	K	Joback Calculated Property
Tc	611.91	K	Joback Calculated Property
Tfus	213.45	K	Joback Calculated Property
Vc	0.483	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[236.30; 301.90]	J/mol×K	[425.28; 611.91]
Cp,gas	236.30	J/mol×K	425.28	Joback Calculated Property
Cp,gas	248.56	J/mol×K	456.38	Joback Calculated Property
Cp,gas	260.26	J/mol×K	487.49	Joback Calculated Property
Cp,gas	271.43	J/mol×K	518.59	Joback Calculated Property
Cp,gas	282.08	J/mol×K	549.70	Joback Calculated Property
Cp,gas	292.23	J/mol×K	580.80	Joback Calculated Property
Cp,gas	301.90	J/mol×K	611.91	Joback Calculated Property
η	[0.0003157; 0.0064391]	Pa×s	[213.45; 425.28]
η	0.0064391	Pa×s	213.45	Joback Calculated Property
η	0.0027270	Pa×s	248.75	Joback Calculated Property
η	0.0014299	Pa×s	284.06	Joback Calculated Property
η	0.0008648	Pa×s	319.37	Joback Calculated Property
η	0.0005781	Pa×s	354.67	Joback Calculated Property
η	0.0004157	Pa×s	389.98	Joback Calculated Property
η	0.0003157	Pa×s	425.28	Joback Calculated Property

Correlations

Property	Value	Unit	Temperature (K)	Source
Pvap	[1.33; 202.66]	kPa	[331.32; 470.57]	The Yaw...
Equation			ln(Pvp) = A + B/(T + C)
Coefficient A			1.49837e+01
Coefficient B			-3.93983e+03
Coefficient C			-6.32340e+01
Temperature range, min.			331.32
Temperature range, max.			470.57
Pvap	1.33	kPa	331.32	Calculated Property
Pvap	2.97	kPa	346.79	Calculated Property
Pvap	6.10	kPa	362.26	Calculated Property
Pvap	11.66	kPa	377.74	Calculated Property
Pvap	20.99	kPa	393.21	Calculated Property
Pvap	35.83	kPa	408.68	Calculated Property
Pvap	58.42	kPa	424.15	Calculated Property
Pvap	91.50	kPa	439.63	Calculated Property
Pvap	138.33	kPa	455.10	Calculated Property
Pvap	202.66	kPa	470.57	Calculated Property

Similar Compounds

Find more compounds similar to Heptane, 3-bromo-.

Sources

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

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