Chemical Properties of 1-Bromotridecane (CAS 765-09-3)

InChI

InChI=1S/C13H27Br/c1-2-3-4-5-6-7-8-9-10-11-12-13-14/h2-13H2,1H3

InChI Key

BFDNZQUBFCYTIC-UHFFFAOYSA-N

Formula

C13H27Br

SMILES

CCCCCCCCCCCCCBr

Molecular Weight¹

263.26

CAS

765-09-3

Other Names

• Tridecane, 1-bromo-
• Tridecyl bromide
• n-Tridecyl bromide
• n-Tridecyl-1-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.
• I_p : 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	0.7235		Relay (1.0) Calculated Property
ΔfG°	72.90	kJ/mol	Joback Calculated Property
ΔfH°gas	-311.52	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	34.71	kJ/mol	Joback Calculated Property
ΔvapH°	81.78	kJ/mol	Relay (1.0) Calculated Property
IE	9.85	eV	Relay (1.0) Calculated Property
log10WS	-6.88		Relay (1.0) Calculated Property
logPoct/wat	5.692		Crippen Calculated Property
McVol	211.530	ml/mol	McGowan Calculated Property
Pc	1740.46	kPa	Joback Calculated Property
Inp	[1651.00; 1658.00]
Inp	1652.00		NIST
Inp	1651.00		NIST
Inp	1658.00		NIST
Inp	1658.00		NIST
Inp	1651.00		NIST
Inp	1652.00		NIST
Ip	[1900.00; 1905.00]
Ip	1905.00		NIST
Ip	1900.00		NIST
Tboil	556.52	K	Relay (1.0) Calculated Property
Tc	728.62	K	Relay (1.0) Calculated Property
Tfus	[279.10; 279.35]	K
Tfus	279.35	K	Jean-Claude Bradley Open Melting Point Dataset (2014, CC0) Compiled value
Tfus	279.10 ± 0.30	K	NIST
Vc	0.836	m3/kmol	Relay (1.0) Calculated Property

Temperature Dependent Properties

Pressure Dependent Properties

Property	Value	Unit	Pressure (kPa)	Source
Tboilr	[421.00; 422.20]	K	[1.30; 1.30]
Tboilr	422.20	K	1.30	NIST
Tboilr	421.00	K	1.30	NIST

Correlations

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[295.25; 699.08]	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			-7.38000e-01
Coefficient B			1.27702e+00
Coefficient C			-7.54800e-04
Coefficient D			1.77600e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	295.25	J/mol×K	273.00	Calculated Property
Cp,gas	364.44	J/mol×K	353.78	Calculated Property
Cp,gas	426.24	J/mol×K	434.56	Calculated Property
Cp,gas	481.21	J/mol×K	515.33	Calculated Property
Cp,gas	529.91	J/mol×K	596.11	Calculated Property
Cp,gas	572.91	J/mol×K	676.89	Calculated Property
Cp,gas	610.76	J/mol×K	757.67	Calculated Property
Cp,gas	644.04	J/mol×K	838.44	Calculated Property
Cp,gas	673.29	J/mol×K	919.22	Calculated Property
Cp,gas	699.08	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0052041; 0.0002626]	Pa×s	[279.23; 515.56]	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			-1.17738e+01
Coefficient B			1.81930e+03
Coefficient C			0.00000e+00
Coefficient D			0.00000e+00
Coefficient E			0.00000e+00
Comment			Liquid phase. Joback/Reid (1987), valid from Tf to 0.7·Tc.
Temperature range, min.			279.23
Temperature range, max.			515.56
η	0.0052041	Pa×s	279.23	Calculated Property
η	0.0029724	Pa×s	305.48	Calculated Property
η	0.0018551	Pa×s	331.74	Calculated Property
η	0.0012407	Pa×s	358.00	Calculated Property
η	0.0008767	Pa×s	384.26	Calculated Property
η	0.0006476	Pa×s	410.52	Calculated Property
η	0.0004962	Pa×s	436.78	Calculated Property
η	0.0003918	Pa×s	463.04	Calculated Property
η	0.0003173	Pa×s	489.30	Calculated Property
η	0.0002626	Pa×s	515.56	Calculated Property

Property	Value	Unit	Temperature (K)	Source
Pvap	[1.33; 202.65]	kPa	[432.12; 589.50]	The Yaws Handbook of Vapor Pressure
Equation			ln(Y) = A + B/(T + C) Y is Pvap in kPa, T in K
Coefficient A			1.59689e+01
Coefficient B			-5.23534e+03
Coefficient C			-9.82620e+01
Temperature range, min.			432.12
Temperature range, max.			589.50
Pvap	1.33	kPa	432.12	Calculated Property
Pvap	2.91	kPa	449.61	Calculated Property
Pvap	5.90	kPa	467.09	Calculated Property
Pvap	11.21	kPa	484.58	Calculated Property
Pvap	20.16	kPa	502.07	Calculated Property
Pvap	34.54	kPa	519.55	Calculated Property
Pvap	56.67	kPa	537.04	Calculated Property
Pvap	89.53	kPa	554.53	Calculated Property
Pvap	136.74	kPa	572.01	Calculated Property
Pvap	202.65	kPa	589.50	Calculated Property

Similar Compounds

Find more compounds similar to 1-Bromotridecane.

Sources

• Jean-Claude Bradley Open Melting Point Dataset (2014, CC0) ChEDL chemicals 1.5.2, from Bradley, J.-C.; Williams, A.; Lang, A. Jean-Claude Bradley Open Melting Point Dataset. Figshare, 2014 (CC0).
• Cheméo Relay (1.0)
• Crippen Method
• Crippen Method
• Joback Method
• McGowan Method
• NIST Webbook
• The Yaws Handbook of Vapor Pressure

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