Chemical Properties of Pentadecane, 1-bromo- (CAS 629-72-1)

InChI

InChI=1S/C15H31Br/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16/h2-15H2,1H3

InChI Key

JKOTZBXSNOGCIF-UHFFFAOYSA-N

Formula

C15H31Br

SMILES

CCCCCCCCCCCCCCCBr

Molecular Weight¹

291.31

CAS

629-72-1

Other Names

• 1-Bromopentadecane
• Pentadecyl bromide
• n-Pentadecyl bromide

• 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).
• Δ_vapH : Enthalpy of vaporization at a given temperature (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).
• I_np : Non-polar retention indices.
• 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

Property	Value	Unit	Source
ω	0.7940		Relay (1.0) Calculated Property
ΔfG°	89.74	kJ/mol	Joback Calculated Property
ΔfH°gas	-354.14	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	39.89	kJ/mol	Joback Calculated Property
ΔvapH°	92.28	kJ/mol	Relay (1.0) Calculated Property
IE	9.90	eV	Relay (1.0) Calculated Property
log10WS	-7.43		Relay (1.0) Calculated Property
logPoct/wat	6.473		Crippen Calculated Property
McVol	239.710	ml/mol	McGowan Calculated Property
Pc	1491.89	kPa	Joback Calculated Property
Inp	[1854.00; 1854.00]
Inp	1854.00		NIST
Inp	1854.00		NIST
Tboil	595.20	K	NIST
Tc	747.19	K	Relay (1.0) Calculated Property
Tfus	291.70 ± 0.30	K	NIST
Vc	0.952	m3/kmol	Relay (1.0) Calculated Property

Temperature Dependent Properties

Pressure Dependent Properties

Correlations

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[337.67; 802.26]	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			-2.55600e+00
Coefficient B			1.46702e+00
Coefficient C			-8.63600e-04
Coefficient D			2.01400e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	337.67	J/mol×K	273.00	Calculated Property
Cp,gas	417.27	J/mol×K	353.78	Calculated Property
Cp,gas	488.39	J/mol×K	434.56	Calculated Property
Cp,gas	551.67	J/mol×K	515.33	Calculated Property
Cp,gas	607.73	J/mol×K	596.11	Calculated Property
Cp,gas	657.23	J/mol×K	676.89	Calculated Property
Cp,gas	700.80	J/mol×K	757.67	Calculated Property
Cp,gas	739.07	J/mol×K	838.44	Calculated Property
Cp,gas	772.68	J/mol×K	919.22	Calculated Property
Cp,gas	802.26	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0055826; 0.0002261]	Pa×s	[291.70; 546.14]	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			-1.20706e+01
Coefficient B			2.00762e+03
Coefficient C			0.00000e+00
Coefficient D			0.00000e+00
Coefficient E			0.00000e+00
Temperature range, min.			291.70
Temperature range, max.			546.14
η	0.0055826	Pa×s	291.70	Calculated Property
η	0.0030390	Pa×s	319.97	Calculated Property
η	0.0018261	Pa×s	348.24	Calculated Property
η	0.0011845	Pa×s	376.51	Calculated Property
η	0.0008162	Pa×s	404.79	Calculated Property
η	0.0005904	Pa×s	433.06	Calculated Property
η	0.0004444	Pa×s	461.33	Calculated Property
η	0.0003457	Pa×s	489.60	Calculated Property
η	0.0002763	Pa×s	517.87	Calculated Property
η	0.0002261	Pa×s	546.14	Calculated Property

Property	Value	Unit	Temperature (K)	Source
Pvap	[1.33; 202.63]	kPa	[456.12; 628.43]	The Yaws Handbook of Vapor Pressure
Equation			ln(Y) = A + B/(T + C) Y is Pvap in kPa, T in K
Coefficient A			1.55018e+01
Coefficient B			-5.31764e+03
Coefficient C			-1.06602e+02
Temperature range, min.			456.12
Temperature range, max.			628.43
Pvap	1.33	kPa	456.12	Calculated Property
Pvap	2.94	kPa	475.27	Calculated Property
Pvap	5.99	kPa	494.41	Calculated Property
Pvap	11.41	kPa	513.56	Calculated Property
Pvap	20.53	kPa	532.70	Calculated Property
Pvap	35.12	kPa	551.85	Calculated Property
Pvap	57.46	kPa	570.99	Calculated Property
Pvap	90.42	kPa	590.14	Calculated Property
Pvap	137.45	kPa	609.28	Calculated Property
Pvap	202.63	kPa	628.43	Calculated Property

Similar Compounds

Find more compounds similar to Pentadecane, 1-bromo-.

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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