Chemical Properties of Undecane, 2,3-dimethyl- (CAS 17312-77-5)

InChI

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

InChI Key

QSSUTSOGIQHRIU-UHFFFAOYSA-N

Formula

C13H28

SMILES

CCCCCCCCC(C)C(C)C

Molecular Weight¹

184.36

CAS

17312-77-5

Other Names

• 2,3-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	0.5383		Relay (1.0) Calculated Property
ΔfG°	53.70	kJ/mol	Joback Calculated Property
ΔfH°gas	-321.68	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	22.38	kJ/mol	Joback Calculated Property
ΔvapH°	60.05	kJ/mol	Relay (1.0) Calculated Property
IE	9.54	eV	Relay (1.0) Calculated Property
log10WS	-6.52		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	[1234.00; 1251.40]
Inp	1251.00		NIST
Inp	1251.00		NIST
Inp	1251.40		NIST
Inp	1251.00		NIST
Inp	1234.00		NIST
Inp	1251.00		NIST
Inp	1234.00		NIST
Inp	1251.00		NIST
Tboil	491.24	K	Relay (1.0) Calculated Property
Tc	663.49	K	Relay (1.0) Calculated Property
Tfus	222.79	K	Relay (1.0) Calculated Property
Vc	0.736	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	[0.0170093; 0.0002228]	Pa×s	[206.27; 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.			206.27
Temperature range, max.			463.90
η	0.0170093	Pa×s	206.27	Calculated Property
η	0.0065698	Pa×s	234.90	Calculated Property
η	0.0031201	Pa×s	263.52	Calculated Property
η	0.0017146	Pa×s	292.15	Calculated Property
η	0.0010485	Pa×s	320.77	Calculated Property
η	0.0006950	Pa×s	349.40	Calculated Property
η	0.0004902	Pa×s	378.02	Calculated Property
η	0.0003632	Pa×s	406.65	Calculated Property
η	0.0002800	Pa×s	435.27	Calculated Property
η	0.0002228	Pa×s	463.90	Calculated Property

Property	Value	Unit	Temperature (K)	Source
Pvap	[1.33; 202.66]	kPa	[375.15; 532.83]	The Yaws Handbook of Vapor Pressure
Equation			ln(Y) = A + B/(T + C) Y is Pvap in kPa, T in K
Coefficient A			1.41125e+01
Coefficient B			-3.81876e+03
Coefficient C			-9.89300e+01
Temperature range, min.			375.15
Temperature range, max.			532.83
Pvap	1.33	kPa	375.15	Calculated Property
Pvap	3.04	kPa	392.67	Calculated Property
Pvap	6.32	kPa	410.19	Calculated Property
Pvap	12.15	kPa	427.71	Calculated Property
Pvap	21.87	kPa	445.23	Calculated Property
Pvap	37.20	kPa	462.75	Calculated Property
Pvap	60.25	kPa	480.27	Calculated Property
Pvap	93.54	kPa	497.79	Calculated Property
Pvap	139.94	kPa	515.31	Calculated Property
Pvap	202.66	kPa	532.83	Calculated Property

Similar Compounds

Find more compounds similar to Undecane, 2,3-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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