Chemical Properties of Undecane, 2,4-dimethyl- (CAS 17312-80-0)

InChI

InChI=1S/C13H28/c1-5-6-7-8-9-10-13(4)11-12(2)3/h12-13H,5-11H2,1-4H3

InChI Key

WMZNFELFMFOGCC-UHFFFAOYSA-N

Formula

C13H28

SMILES

CCCCCCCC(C)CC(C)C

Molecular Weight¹

184.36

CAS

17312-80-0

Other Names

• 2,4-Dimethylundecane

• 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	0.5409		Relay (1.0) Calculated Property
ΔfG°	53.70	kJ/mol	Joback Calculated Property
ΔfH°gas	-328.23	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	22.38	kJ/mol	Joback Calculated Property
ΔvapH°	59.18	kJ/mol	Relay (1.0) Calculated Property
IE	9.59	eV	Relay (1.0) Calculated Property
log10WS	-6.63		Relay (1.0) Calculated Property
logPoct/wat	5.029		Crippen Calculated Property
McVol	194.030	ml/mol	McGowan Calculated Property
Pc	1665.97	kPa	Joback Calculated Property
Inp	[1160.00; 1253.00]
Inp	1223.00		NIST
Inp	1208.00		NIST
Inp	1208.20		NIST
Inp	1208.00		NIST
Inp	1223.00		NIST
Inp	1253.00		NIST
Inp	1160.00		NIST
Inp	1213.00		NIST
Inp	1208.00		NIST
Inp	1208.00		NIST
Inp	1253.00		NIST
Inp	1160.00		NIST
Inp	1213.00		NIST
Tboil	483.72	K	Relay (1.0) Calculated Property
Tc	652.73	K	Relay (1.0) Calculated Property
Tfus	[202.00; 205.00]	K
Tfus	202.00 ± 2.00	K	NIST
Tfus	205.00 ± 3.00	K	NIST
Tfus	204.65 ± 3.00	K	NIST
Vc	0.738	m3/kmol	Relay (1.0) Calculated Property

Temperature Dependent Properties

Correlations

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[280.63; 691.09]	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			-1.22930e+01
Coefficient B			1.25068e+00
Coefficient C			-6.89800e-04
Coefficient D			1.42500e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	280.63	J/mol×K	273.00	Calculated Property
Cp,gas	350.14	J/mol×K	353.78	Calculated Property
Cp,gas	412.63	J/mol×K	434.56	Calculated Property
Cp,gas	468.54	J/mol×K	515.33	Calculated Property
Cp,gas	518.32	J/mol×K	596.11	Calculated Property
Cp,gas	562.42	J/mol×K	676.89	Calculated Property
Cp,gas	601.30	J/mol×K	757.67	Calculated Property
Cp,gas	635.40	J/mol×K	838.44	Calculated Property
Cp,gas	665.18	J/mol×K	919.22	Calculated Property
Cp,gas	691.09	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0186369; 0.0002228]	Pa×s	[203.88; 463.90]	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			-1.18801e+01
Coefficient B			1.61016e+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.			203.88
Temperature range, max.			463.90
η	0.0186369	Pa×s	203.88	Calculated Property
η	0.0069934	Pa×s	232.77	Calculated Property
η	0.0032584	Pa×s	261.66	Calculated Property
η	0.0017672	Pa×s	290.55	Calculated Property
η	0.0010706	Pa×s	319.44	Calculated Property
η	0.0007048	Pa×s	348.33	Calculated Property
η	0.0004947	Pa×s	377.23	Calculated Property
η	0.0003651	Pa×s	406.12	Calculated Property
η	0.0002806	Pa×s	435.01	Calculated Property
η	0.0002228	Pa×s	463.90	Calculated Property

Property	Value	Unit	Temperature (K)	Source
Pvap	[1.33; 202.63]	kPa	[366.55; 520.02]	The Yaws Handbook of Vapor Pressure
Equation			ln(Y) = A + B/(T + C) Y is Pvap in kPa, T in K
Coefficient A			1.40721e+01
Coefficient B			-3.68906e+03
Coefficient C			-9.89300e+01
Temperature range, min.			366.55
Temperature range, max.			520.02
Pvap	1.33	kPa	366.55	Calculated Property
Pvap	3.04	kPa	383.60	Calculated Property
Pvap	6.33	kPa	400.65	Calculated Property
Pvap	12.18	kPa	417.71	Calculated Property
Pvap	21.92	kPa	434.76	Calculated Property
Pvap	37.26	kPa	451.81	Calculated Property
Pvap	60.33	kPa	468.86	Calculated Property
Pvap	93.63	kPa	485.92	Calculated Property
Pvap	140.00	kPa	502.97	Calculated Property
Pvap	202.63	kPa	520.02	Calculated Property

Similar Compounds

Find more compounds similar to Undecane, 2,4-dimethyl-.

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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