Chemical Properties of TRIACONTANE, 1-BROMO- (CAS 4209-22-7)

InChI

InChI=1S/C30H61Br/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-25-26-27-28-29-30-31/h2-30H2,1H3

InChI Key

SFVIZKWTUKBDIY-UHFFFAOYSA-N

Formula

C30H61Br

SMILES

CCCCCCCCCCCCCCCCCCCCCCCCCCCCCCBr

Molecular Weight¹

501.72

CAS

4209-22-7

Other Names

• 1-Bromotriacontane

• ω : Acentric Factor.
• C_p,gas : Ideal gas heat capacity (J/mol×K).
• C_p,liquid : Liquid phase 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).
• 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).
• 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	1.3211		Relay (1.0) Calculated Property
ΔfG°	216.04	kJ/mol	Joback Calculated Property
ΔfH°gas	-666.18	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	78.74	kJ/mol	Joback Calculated Property
ΔvapH°	166.58	kJ/mol	Relay (1.0) Calculated Property
IE	10.40	eV	Relay (1.0) Calculated Property
log10WS	-11.53		Relay (1.0) Calculated Property
logPoct/wat	12.324		Crippen Calculated Property
McVol	451.060	ml/mol	McGowan Calculated Property
Pc	616.04	kPa	Joback Calculated Property
Tboil	670.87	K	Relay (1.0) Calculated Property
Tc	846.25	K	Relay (1.0) Calculated Property
Tfus	[339.60; 339.60]	K
Tfus	339.60 ± 0.50	K	NIST
Tfus	339.60 ± 0.60	K	NIST
Vc	1.786	m3/kmol	Relay (1.0) Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,liquid	[1110.00; 1130.00]	J/mol×K	[340.00; 350.00]
Cp,liquid	1110.00	J/mol×K	340.00	Zabransky, M., Ruzicka, V., Majer, V. and Domalski, E. (1997), Heat Capacity of Liquids: Critical Review and Recommended Values - Monograph No. 6, J. Phys. & Chem. Ref. Data (JPCRD), National Institute of Standards and Technology, Gaithersburg, MD
Cp,liquid	1130.00	J/mol×K	350.00	Zabransky, M., Ruzicka, V., Majer, V. and Domalski, E. (1997), Heat Capacity of Liquids: Critical Review and Recommended Values - Monograph No. 6, J. Phys. & Chem. Ref. Data (JPCRD), National Institute of Standards and Technology, Gaithersburg, MD

Correlations

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[655.88; 1576.13]	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			-1.61910e+01
Coefficient B			2.89202e+00
Coefficient C			-1.67960e-03
Coefficient D			3.79900e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	655.88	J/mol×K	273.00	Calculated Property
Cp,gas	813.55	J/mol×K	353.78	Calculated Property
Cp,gas	954.55	J/mol×K	434.56	Calculated Property
Cp,gas	1080.11	J/mol×K	515.33	Calculated Property
Cp,gas	1191.40	J/mol×K	596.11	Calculated Property
Cp,gas	1289.65	J/mol×K	676.89	Calculated Property
Cp,gas	1376.04	J/mol×K	757.67	Calculated Property
Cp,gas	1451.79	J/mol×K	838.44	Calculated Property
Cp,gas	1518.08	J/mol×K	919.22	Calculated Property
Cp,gas	1576.13	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0117815; 0.0000315]	Pa×s	[339.60; 824.73]	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			-1.45120e+01
Coefficient B			3.42002e+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.			339.60
Temperature range, max.			824.73
η	0.0117815	Pa×s	339.60	Calculated Property
η	0.0029654	Pa×s	393.50	Calculated Property
η	0.0010407	Pa×s	447.41	Calculated Property
η	0.0004575	Pa×s	501.31	Calculated Property
η	0.0002359	Pa×s	555.21	Calculated Property
η	0.0001368	Pa×s	609.12	Calculated Property
η	0.0000866	Pa×s	663.02	Calculated Property
η	0.0000588	Pa×s	716.92	Calculated Property
η	0.0000421	Pa×s	770.83	Calculated Property
η	0.0000315	Pa×s	824.73	Calculated Property

Similar Compounds

Find more compounds similar to TRIACONTANE, 1-BROMO-.

Sources

• Cheméo Relay (1.0)
• Crippen Method
• Crippen Method
• Joback Method
• McGowan Method
• NIST Webbook
• Zabransky, M., Ruzicka, V., Majer, V. and Domalski, E. (1997), Heat Capacity of Liquids: Critical Review and Recommended Values - Monograph No. 6, J. Phys. & Chem. Ref. Data (JPCRD), National Institute of Standards and Technology, Gaithersburg, MD

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