Chemical Properties of Tridecane, 4-methyl- (CAS 26730-12-1)

InChI

InChI=1S/C14H30/c1-4-6-7-8-9-10-11-13-14(3)12-5-2/h14H,4-13H2,1-3H3

InChI Key

BPHJCXVZYVVFBT-UHFFFAOYSA-N

Formula

C14H30

SMILES

CCCCCCCCCC(C)CCC

Molecular Weight¹

198.39

CAS

26730-12-1

Other Names

• 4-Methyltridecane

• 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_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	0.6040		Relay (1.0) Calculated Property
ΔfG°	64.56	kJ/mol	Joback Calculated Property
ΔfH°gas	-337.39	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	28.49	kJ/mol	Joback Calculated Property
ΔvapH°	67.80	kJ/mol	Relay (1.0) Calculated Property
IE	9.59	eV	Relay (1.0) Calculated Property
log10WS	-6.93		Relay (1.0) Calculated Property
logPoct/wat	5.563		Crippen Calculated Property
McVol	208.120	ml/mol	McGowan Calculated Property
Pc	1533.06	kPa	Joback Calculated Property
Inp	[1355.00; 1360.40]
Inp	1355.00		NIST
Inp	1356.00		NIST
Inp	1360.00		NIST
Inp	1359.82		NIST
Inp	1359.92		NIST
Inp	1359.99		NIST
Inp	1359.17		NIST
Inp	1359.12		NIST
Inp	1359.17		NIST
Inp	1360.00		NIST
Inp	1359.00		NIST
Inp	1360.40		NIST
Inp	1360.00		NIST
Inp	1355.00		NIST
Inp	1355.00		NIST
Inp	1356.00		NIST
Inp	1359.17		NIST
Inp	1360.00		NIST
Tboil	509.38	K	Relay (1.0) Calculated Property
Tc	679.78	K	Relay (1.0) Calculated Property
Tfus	227.40 ± 2.00	K	NIST
Vc	0.808	m3/kmol	Relay (1.0) Calculated Property

Temperature Dependent Properties

Correlations

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[302.16; 742.14]	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			-1.15200e+01
Coefficient B			1.33976e+00
Coefficient C			-7.41000e-04
Coefficient D			1.54900e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	302.16	J/mol×K	273.00	Calculated Property
Cp,gas	376.57	J/mol×K	353.78	Calculated Property
Cp,gas	443.46	J/mol×K	434.56	Calculated Property
Cp,gas	503.32	J/mol×K	515.33	Calculated Property
Cp,gas	556.62	J/mol×K	596.11	Calculated Property
Cp,gas	603.88	J/mol×K	676.89	Calculated Property
Cp,gas	645.57	J/mol×K	757.67	Calculated Property
Cp,gas	682.18	J/mol×K	838.44	Calculated Property
Cp,gas	714.21	J/mol×K	919.22	Calculated Property
Cp,gas	742.14	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0106388; 0.0002292]	Pa×s	[227.40; 477.42]	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			-1.18717e+01
Coefficient B			1.66650e+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.			227.40
Temperature range, max.			477.42
η	0.0106388	Pa×s	227.40	Calculated Property
η	0.0047908	Pa×s	255.18	Calculated Property
η	0.0025233	Pa×s	282.96	Calculated Property
η	0.0014904	Pa×s	310.74	Calculated Property
η	0.0009598	Pa×s	338.52	Calculated Property
η	0.0006607	Pa×s	366.30	Calculated Property
η	0.0004794	Pa×s	394.08	Calculated Property
η	0.0003629	Pa×s	421.86	Calculated Property
η	0.0002843	Pa×s	449.64	Calculated Property
η	0.0002292	Pa×s	477.42	Calculated Property

Property	Value	Unit	Temperature (K)	Source
Pvap	[1.33; 202.66]	kPa	[386.96; 550.04]	The Yaws Handbook of Vapor Pressure
Equation			ln(Y) = A + B/(T + C) Y is Pvap in kPa, T in K
Coefficient A			1.71325e+01
Coefficient B			-6.46364e+03
Coefficient C			-3.24600e+00
Temperature range, min.			386.96
Temperature range, max.			550.04
Pvap	1.33	kPa	386.96	Calculated Property
Pvap	2.85	kPa	405.08	Calculated Property
Pvap	5.70	kPa	423.20	Calculated Property
Pvap	10.78	kPa	441.32	Calculated Property
Pvap	19.37	kPa	459.44	Calculated Property
Pvap	33.29	kPa	477.56	Calculated Property
Pvap	54.96	kPa	495.68	Calculated Property
Pvap	87.57	kPa	513.80	Calculated Property
Pvap	135.15	kPa	531.92	Calculated Property
Pvap	202.66	kPa	550.04	Calculated Property

Similar Compounds

Find more compounds similar to Tridecane, 4-methyl-.

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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