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

• 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).
• 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
ΔfG°	89.74	kJ/mol	Joback Calculated Property
ΔfH°gas	-326.60	kJ/mol	Joback Calculated Property
ΔfusH°	39.89	kJ/mol	Joback Calculated Property
ΔvapH°	55.42	kJ/mol	Joback Calculated Property
log10WS	-6.53		Crippen 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	779.95	K	Joback Calculated Property
Tfus	291.70 ± 0.30	K	NIST
Vc	0.938	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[615.90; 711.85]	J/mol×K	[608.76; 779.95]
Cp,gas	615.90	J/mol×K	608.76	Joback Calculated Property
Cp,gas	633.75	J/mol×K	637.29	Joback Calculated Property
Cp,gas	650.82	J/mol×K	665.82	Joback Calculated Property
Cp,gas	667.13	J/mol×K	694.35	Joback Calculated Property
Cp,gas	682.72	J/mol×K	722.88	Joback Calculated Property
Cp,gas	697.62	J/mol×K	751.41	Joback Calculated Property
Cp,gas	711.85	J/mol×K	779.95	Joback Calculated Property
η	[0.0001549; 0.0031216]	Pa×s	[318.61; 608.76]
η	0.0031216	Pa×s	318.61	Joback Calculated Property
η	0.0013607	Pa×s	366.97	Joback Calculated Property
η	0.0007196	Pa×s	415.33	Joback Calculated Property
η	0.0004347	Pa×s	463.69	Joback Calculated Property
η	0.0002888	Pa×s	512.04	Joback Calculated Property
η	0.0002059	Pa×s	560.40	Joback Calculated Property
η	0.0001549	Pa×s	608.76	Joback Calculated Property
ΔvapH	69.50	kJ/mol	555.50	NIST

Pressure Dependent Properties

Correlations

Property	Value	Unit	Temperature (K)	Source
Pvap	[1.33; 202.63]	kPa	[456.12; 628.43]	The Yaw...
Equation			ln(Pvp) = A + B/(T + C)
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

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

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