Chemical Properties of 1-Iodoundecane (CAS 4282-44-4)

InChI

InChI=1S/C11H23I/c1-2-3-4-5-6-7-8-9-10-11-12/h2-11H2,1H3

InChI Key

FKUQOQPBCHJHAP-UHFFFAOYSA-N

Formula

C11H23I

SMILES

CCCCCCCCCCCI

Molecular Weight¹

282.20

CAS

4282-44-4

Other Names

• Undecane, 1-iodo-

• 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.
• I_p : Polar retention indices.
• T_boil : Normal Boiling Point Temperature (K).
• T_boilr : Boiling point at reduced pressure (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	0.5746		Relay (1.0) Calculated Property
ΔfG°	99.86	kJ/mol	Joback Calculated Property
ΔfH°gas	-208.85	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	28.65	kJ/mol	Joback Calculated Property
ΔvapH°	74.80	kJ/mol	NIST
IE	9.12	eV	Relay (1.0) Calculated Property
log10WS	-6.41		Relay (1.0) Calculated Property
logPoct/wat	4.952		Crippen Calculated Property
McVol	191.670	ml/mol	McGowan Calculated Property
Pc	1896.95	kPa	Joback Calculated Property
Inp	[1534.00; 1537.00]
Inp	1537.00		NIST
Inp	1534.00		NIST
Ip	[1813.00; 1842.00]
Ip	1816.00		NIST
Ip	1813.00		NIST
Ip	1842.00		NIST
Ip	1816.00		NIST
Tboil	540.79	K	Relay (1.0) Calculated Property
Tc	737.75	K	Relay (1.0) Calculated Property
Tfus	275.15	K	Jean-Claude Bradley Open Melting Point Dataset (2014, CC0) Compiled value
Vc	0.740	m3/kmol	Relay (1.0) Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
ΔvapH	[60.10; 60.90]	kJ/mol	[505.50; 515.00]
ΔvapH	60.10	kJ/mol	505.50	NIST
ΔvapH	60.90	kJ/mol	515.00	NIST

Pressure Dependent Properties

Correlations

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[255.91; 596.00]	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			4.58000e+00
Coefficient B			1.08782e+00
Coefficient C			-6.56000e-04
Coefficient D			1.59600e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	255.91	J/mol×K	273.00	Calculated Property
Cp,gas	314.39	J/mol×K	353.78	Calculated Property
Cp,gas	366.52	J/mol×K	434.56	Calculated Property
Cp,gas	412.80	J/mol×K	515.33	Calculated Property
Cp,gas	453.74	J/mol×K	596.11	Calculated Property
Cp,gas	489.85	J/mol×K	676.89	Calculated Property
Cp,gas	521.62	J/mol×K	757.67	Calculated Property
Cp,gas	549.57	J/mol×K	838.44	Calculated Property
Cp,gas	574.19	J/mol×K	919.22	Calculated Property
Cp,gas	596.00	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0049517; 0.0002810]	Pa×s	[275.15; 513.26]	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			-1.14924e+01
Coefficient B			1.70162e+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.			275.15
Temperature range, max.			513.26
η	0.0049517	Pa×s	275.15	Calculated Property
η	0.0028785	Pa×s	301.61	Calculated Property
η	0.0018262	Pa×s	328.06	Calculated Property
η	0.0012401	Pa×s	354.52	Calculated Property
η	0.0008886	Pa×s	380.98	Calculated Property
η	0.0006649	Pa×s	407.43	Calculated Property
η	0.0005154	Pa×s	433.89	Calculated Property
η	0.0004114	Pa×s	460.35	Calculated Property
η	0.0003365	Pa×s	486.80	Calculated Property
η	0.0002810	Pa×s	513.26	Calculated Property

Property	Value	Unit	Temperature (K)	Source
Pvap	[1.33; 202.65]	kPa	[418.72; 564.37]	The Yaws Handbook of Vapor Pressure
Equation			ln(Y) = A + B/(T + C) Y is Pvap in kPa, T in K
Coefficient A			1.64657e+01
Coefficient B			-5.23165e+03
Coefficient C			-9.53430e+01
Temperature range, min.			418.72
Temperature range, max.			564.37
Pvap	1.33	kPa	418.72	Calculated Property
Pvap	2.88	kPa	434.90	Calculated Property
Pvap	5.81	kPa	451.09	Calculated Property
Pvap	11.02	kPa	467.27	Calculated Property
Pvap	19.81	kPa	483.45	Calculated Property
Pvap	33.97	kPa	499.64	Calculated Property
Pvap	55.90	kPa	515.82	Calculated Property
Pvap	88.65	kPa	532.00	Calculated Property
Pvap	136.03	kPa	548.19	Calculated Property
Pvap	202.65	kPa	564.37	Calculated Property

Similar Compounds

Find more compounds similar to 1-Iodoundecane.

Sources

• Jean-Claude Bradley Open Melting Point Dataset (2014, CC0) ChEDL chemicals 1.5.2, from Bradley, J.-C.; Williams, A.; Lang, A. Jean-Claude Bradley Open Melting Point Dataset. Figshare, 2014 (CC0).
• Cheméo Relay (1.0)
• Crippen Method
• Crippen Method
• Joback Method
• McGowan Method
• NIST Webbook
• The Yaws Handbook of Vapor Pressure

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