Chemical Properties of Tritriacontane, 3-methyl- (CAS 14167-69-2)

InChI

InChI=1S/C34H70/c1-4-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-25-26-27-28-29-30-31-32-33-34(3)5-2/h34H,4-33H2,1-3H3

InChI Key

GGSUDEKGRQXJSB-UHFFFAOYSA-N

Formula

C34H70

SMILES

CCCCCCCCCCCCCCCCCCCCCCCCCCCCCCC(C)CC

Molecular Weight¹

478.92

CAS

14167-69-2

Other Names

• 3-Methyltritriacontane

• 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).
• 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).
• I_np : Non-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	1.3117		Relay (1.0) Calculated Property
ΔfG°	232.96	kJ/mol	Joback Calculated Property
ΔfH°gas	-761.63	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	80.29	kJ/mol	Joback Calculated Property
ΔvapH°	168.54	kJ/mol	Relay (1.0) Calculated Property
IE	10.28	eV	Relay (1.0) Calculated Property
log10WS	-12.38		Relay (1.0) Calculated Property
logPoct/wat	13.365		Crippen Calculated Property
McVol	489.920	ml/mol	McGowan Calculated Property
Pc	499.58	kPa	Joback Calculated Property
Inp	[3372.00; 3380.80]
Inp	3376.00		NIST
Inp	3372.00		NIST
Inp	3376.00		NIST
Inp	Outlier 3380.80		NIST
Inp	3375.00		NIST
Inp	3374.00		NIST
Inp	3374.00		NIST
Inp	3375.00		NIST
Inp	3374.00		NIST
Inp	Outlier 3380.80		NIST
Inp	3374.00		NIST
Inp	3376.00		NIST
Tboil	665.12	K	Relay (1.0) Calculated Property
Tc	837.05	K	Relay (1.0) Calculated Property
Tfus	335.00 ± 0.50	K	NIST
Vc	1.933	m3/kmol	Relay (1.0) Calculated Property

Correlations

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[726.44; 1773.96]	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			-2.97000e+01
Coefficient B			3.23976e+00
Coefficient C			-1.82900e-03
Coefficient D			3.92900e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	726.44	J/mol×K	273.00	Calculated Property
Cp,gas	904.94	J/mol×K	353.78	Calculated Property
Cp,gas	1065.01	J/mol×K	434.56	Calculated Property
Cp,gas	1207.90	J/mol×K	515.33	Calculated Property
Cp,gas	1334.85	J/mol×K	596.11	Calculated Property
Cp,gas	1447.10	J/mol×K	676.89	Calculated Property
Cp,gas	1545.89	J/mol×K	757.67	Calculated Property
Cp,gas	1632.47	J/mol×K	838.44	Calculated Property
Cp,gas	1708.08	J/mol×K	919.22	Calculated Property
Cp,gas	1773.96	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0125967; 0.0000196]	Pa×s	[335.00; 858.92]	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			-1.49704e+01
Coefficient B			3.54970e+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.			335.00
Temperature range, max.			858.92
η	0.0125967	Pa×s	335.00	Calculated Property
η	0.0026241	Pa×s	393.21	Calculated Property
η	0.0008192	Pa×s	451.43	Calculated Property
η	0.0003337	Pa×s	509.64	Calculated Property
η	0.0001634	Pa×s	567.85	Calculated Property
η	0.0000914	Pa×s	626.07	Calculated Property
η	0.0000564	Pa×s	684.28	Calculated Property
η	0.0000376	Pa×s	742.49	Calculated Property
η	0.0000265	Pa×s	800.70	Calculated Property
η	0.0000196	Pa×s	858.92	Calculated Property

Similar Compounds

Find more compounds similar to Tritriacontane, 3-methyl-.

Sources

• Cheméo Relay (1.0)
• Crippen Method
• Crippen Method
• Joback Method
• McGowan Method
• NIST Webbook

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