Chemical Properties of Pentane, 3-bromo-3-methyl- (CAS 25346-31-0)

InChI

InChI=1S/C6H13Br/c1-4-6(3,7)5-2/h4-5H2,1-3H3

InChI Key

ZRPQYKLJSOLRPZ-UHFFFAOYSA-N

Formula

C6H13Br

SMILES

CCC(C)(Br)CC

Molecular Weight¹

165.07

CAS

25346-31-0

Other Names

• 3-Bromo-3-methylpentane

• 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°	16.80	kJ/mol	Joback Calculated Property
ΔfH°gas	-149.59	kJ/mol	Joback Calculated Property
ΔfusH°	9.17	kJ/mol	Joback Calculated Property
ΔvapH°	34.09	kJ/mol	Joback Calculated Property
log10WS	-2.88		Crippen Calculated Property
logPoct/wat	2.960		Crippen Calculated Property
McVol	112.900	ml/mol	McGowan Calculated Property
Pc	3435.91	kPa	Joback Calculated Property
Inp	[876.00; 944.00]
Inp	929.00		NIST
Inp	944.00		NIST
Inp	916.00		NIST
Inp	876.00		NIST
Inp	876.00		NIST
I	[1037.00; 1059.00]
I	1059.00		NIST
I	1037.00		NIST
I	1047.00		NIST
Tboil	399.61	K	Joback Calculated Property
Tc	595.92	K	Joback Calculated Property
Tfus	180.95 ± 0.50	K	NIST
Vc	0.422	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[199.46; 262.20]	J/mol×K	[399.61; 595.92]
Cp,gas	199.46	J/mol×K	399.61	Joback Calculated Property
Cp,gas	211.57	J/mol×K	432.33	Joback Calculated Property
Cp,gas	222.97	J/mol×K	465.05	Joback Calculated Property
Cp,gas	233.70	J/mol×K	497.77	Joback Calculated Property
Cp,gas	243.79	J/mol×K	530.48	Joback Calculated Property
Cp,gas	253.28	J/mol×K	563.20	Joback Calculated Property
Cp,gas	262.20	J/mol×K	595.92	Joback Calculated Property
η	[0.0003796; 0.0067171]	Pa×s	[219.60; 399.61]
η	0.0067171	Pa×s	219.60	Joback Calculated Property
η	0.0031204	Pa×s	249.60	Joback Calculated Property
η	0.0017088	Pa×s	279.60	Joback Calculated Property
η	0.0010517	Pa×s	309.61	Joback Calculated Property
η	0.0007052	Pa×s	339.61	Joback Calculated Property
η	0.0005045	Pa×s	369.61	Joback Calculated Property
η	0.0003796	Pa×s	399.61	Joback Calculated Property

Correlations

Property	Value	Unit	Temperature (K)	Source
Pvap	[1.33; 202.63]	kPa	[302.52; 450.47]	The Yaw...
Equation			ln(Pvp) = A + B/(T + C)
Coefficient A			1.37764e+01
Coefficient B			-3.36269e+03
Coefficient C			-5.32260e+01
Temperature range, min.			302.52
Temperature range, max.			450.47
Pvap	1.33	kPa	302.52	Calculated Property
Pvap	3.07	kPa	318.96	Calculated Property
Pvap	6.42	kPa	335.40	Calculated Property
Pvap	12.37	kPa	351.84	Calculated Property
Pvap	22.26	kPa	368.28	Calculated Property
Pvap	37.80	kPa	384.71	Calculated Property
Pvap	61.04	kPa	401.15	Calculated Property
Pvap	94.40	kPa	417.59	Calculated Property
Pvap	140.61	kPa	434.03	Calculated Property
Pvap	202.63	kPa	450.47	Calculated Property

Similar Compounds

Find more compounds similar to Pentane, 3-bromo-3-methyl-.

Sources

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

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