Chemical Properties of Pentane, 3-bromo- (CAS 1809-10-5)

InChI

InChI=1S/C5H11Br/c1-3-5(6)4-2/h5H,3-4H2,1-2H3

InChI Key

VTOQFOCYBTVOJZ-UHFFFAOYSA-N

Formula

C5H11Br

SMILES

CCC(Br)CC

Molecular Weight¹

151.05

CAS

1809-10-5

Other Names

• 3-Bromopentane
• 3-Pentyl bromide

• ω : Acentric Factor.
• C_p,gas : Ideal gas heat capacity (J/mol×K).
• η : Dynamic viscosity (Pa×s).
• Δ_fH°_gas : Enthalpy of formation at standard conditions (kJ/mol).
• Δ_fusH° : Enthalpy of fusion at standard conditions (kJ/mol).
• Δ_fusH : Enthalpy of fusion at a given temperature (kJ/mol).
• Δ_vapH° : Enthalpy of vaporization at standard conditions (kJ/mol).
• Δ_vapH : Enthalpy of vaporization at a given temperature (kJ/mol).
• IE : Ionization energy (eV).
• 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
ω	0.3456		Relay (1.0) Calculated Property
ΔfH°gas	-122.48	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	10.47	kJ/mol	Joback Calculated Property
ΔvapH°	38.13	kJ/mol	Relay (1.0) Calculated Property
IE	9.73	eV	Relay (1.0) Calculated Property
logPoct/wat	2.570		Crippen Calculated Property
McVol	98.810	ml/mol	McGowan Calculated Property
Pc	3805.69	kPa	Joback Calculated Property
Inp	[851.00; 853.00]
Inp	851.00		NIST
Inp	853.00		NIST
Inp	852.00		NIST
I	[989.00; 1009.00]
I	997.00		NIST
I	997.00		NIST
I	Outlier 1009.00		NIST
I	989.00		NIST
I	994.00		NIST
I	994.00		NIST
Tboil	391.80	K	NIST
Tc	586.21	K	Relay (1.0) Calculated Property
Tfus	169.06	K	Relay (1.0) Calculated Property
Vc	0.364	m3/kmol	Relay (1.0) Calculated Property

Cheméo can also estimate Standard Gibbs free energy of formation, Log10 of Water solubility in mol/l for this compound, but they fall outside the models' validated range, so they are not shown here. Open the prediction tool to compute them on demand.

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
ΔfusH	[8.40; 8.40]	kJ/mol	[167.30; 167.30]
ΔfusH	8.40	kJ/mol	167.30	NIST
ΔfusH	8.40	kJ/mol	167.30	NIST
ΔvapH	37.70	kJ/mol	369.00	NIST

Correlations

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[125.22; 286.89]	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			4.85200e+00
Coefficient B			5.22940e-01
Coefficient C			-3.22800e-04
Coefficient D			8.19000e-08
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	125.22	J/mol×K	273.00	Calculated Property
Cp,gas	153.08	J/mol×K	353.78	Calculated Property
Cp,gas	177.86	J/mol×K	434.56	Calculated Property
Cp,gas	199.82	J/mol×K	515.33	Calculated Property
Cp,gas	219.22	J/mol×K	596.11	Calculated Property
Cp,gas	236.32	J/mol×K	676.89	Calculated Property
Cp,gas	251.38	J/mol×K	757.67	Calculated Property
Cp,gas	264.66	J/mol×K	838.44	Calculated Property
Cp,gas	276.41	J/mol×K	919.22	Calculated Property
Cp,gas	286.89	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0061616; 0.0003033]	Pa×s	[190.91; 398.39]	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			-1.08714e+01
Coefficient B			1.10384e+03
Coefficient C			0.00000e+00
Coefficient D			0.00000e+00
Coefficient E			0.00000e+00
Temperature range, min.			190.91
Temperature range, max.			398.39
η	0.0061616	Pa×s	190.91	Calculated Property
η	0.0033047	Pa×s	213.96	Calculated Property
η	0.0020008	Pa×s	237.02	Calculated Property
η	0.0013241	Pa×s	260.07	Calculated Property
η	0.0009372	Pa×s	283.12	Calculated Property
η	0.0006988	Pa×s	306.18	Calculated Property
η	0.0005429	Pa×s	329.23	Calculated Property
η	0.0004359	Pa×s	352.28	Calculated Property
η	0.0003596	Pa×s	375.34	Calculated Property
η	0.0003033	Pa×s	398.39	Calculated Property

Property	Value	Unit	Temperature (K)	Source
Pvap	[1.33; 202.67]	kPa	[286.76; 417.57]	The Yaws Handbook of Vapor Pressure
Equation			ln(Y) = A + B/(T + C) Y is Pvap in kPa, T in K
Coefficient A			1.47451e+01
Coefficient B			-3.55117e+03
Coefficient C			-4.11270e+01
Temperature range, min.			286.76
Temperature range, max.			417.57
Pvap	1.33	kPa	286.76	Calculated Property
Pvap	2.99	kPa	301.29	Calculated Property
Pvap	6.16	kPa	315.83	Calculated Property
Pvap	11.79	kPa	330.36	Calculated Property
Pvap	21.22	kPa	344.90	Calculated Property
Pvap	36.18	kPa	359.43	Calculated Property
Pvap	58.90	kPa	373.97	Calculated Property
Pvap	92.04	kPa	388.50	Calculated Property
Pvap	138.76	kPa	403.04	Calculated Property
Pvap	202.67	kPa	417.57	Calculated Property

Similar Compounds

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

Sources

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

Note: Cheméo is only indexing the data, follow the source links to retrieve the latest data. The source is also providing more information like the publication year, authors and more. Take the time to validate and double check the source of the data.
Outlier This icon means that the value is more than 2 standard deviations away from the property mean.
These property values are available through the Cheméo API. A free account gives you an access key.