Chemical Properties of Octadecane, 1-iodo- (CAS 629-93-6)

InChI

InChI=1S/C18H37I/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19/h2-18H2,1H3

InChI Key

ZNJOCVLVYVOUGB-UHFFFAOYSA-N

Formula

C18H37I

SMILES

CCCCCCCCCCCCCCCCCCI

Molecular Weight¹

380.39

CAS

629-93-6

Other Names

• 1-Iodooctadecane
• Octadecyl iodide
• Stearyl iodide
• n-Octadecyl iodide

• 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	0.8282		Relay (1.0) Calculated Property
ΔfG°	158.80	kJ/mol	Joback Calculated Property
ΔfH°gas	-360.25	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	46.78	kJ/mol	Joback Calculated Property
ΔvapH°	109.30	kJ/mol	NIST
IE	9.34	eV	Relay (1.0) Calculated Property
log10WS	-8.34		Relay (1.0) Calculated Property
logPoct/wat	7.683		Crippen Calculated Property
McVol	290.300	ml/mol	McGowan Calculated Property
Pc	1135.20	kPa	Joback Calculated Property
Inp	[2240.00; 2290.00]
Inp	2272.00		NIST
Inp	2240.00		NIST
Inp	2290.00		NIST
Inp	2290.00		NIST
Ip	2576.00		NIST
Tboil	656.20	K	NIST
Tc	798.13	K	Relay (1.0) Calculated Property
Tfus	[307.00; 307.15]	K
Tfus	307.15	K	Jean-Claude Bradley Open Melting Point Dataset (2014, CC0) Compiled value
Tfus	307.00 ± 3.00	K	NIST
Vc	1.140	m3/kmol	Relay (1.0) Calculated Property

Temperature Dependent Properties

Pressure Dependent Properties

Property	Value	Unit	Pressure (kPa)	Source
Tboilr	[468.50; 468.70]	K	[0.30; 0.30]
Tboilr	468.70	K	0.30	NIST
Tboilr	468.50 ± 1.50	K	0.30	NIST

Correlations

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[404.41; 957.14]	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			-1.78300e+00
Coefficient B			1.75282e+00
Coefficient C			-1.03680e-03
Coefficient D			2.42900e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	404.41	J/mol×K	273.00	Calculated Property
Cp,gas	499.32	J/mol×K	353.78	Calculated Property
Cp,gas	584.06	J/mol×K	434.56	Calculated Property
Cp,gas	659.40	J/mol×K	515.33	Calculated Property
Cp,gas	726.12	J/mol×K	596.11	Calculated Property
Cp,gas	784.97	J/mol×K	676.89	Calculated Property
Cp,gas	836.73	J/mol×K	757.67	Calculated Property
Cp,gas	882.17	J/mol×K	838.44	Calculated Property
Cp,gas	922.05	J/mol×K	919.22	Calculated Property
Cp,gas	957.14	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0074544; 0.0001551]	Pa×s	[307.07; 618.73]	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			-1.25868e+01
Coefficient B			2.36074e+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.			307.07
Temperature range, max.			618.73
η	0.0074544	Pa×s	307.07	Calculated Property
η	0.0034202	Pa×s	341.70	Calculated Property
η	0.0018112	Pa×s	376.33	Calculated Property
η	0.0010676	Pa×s	410.96	Calculated Property
η	0.0006832	Pa×s	445.59	Calculated Property
η	0.0004662	Pa×s	480.22	Calculated Property
η	0.0003350	Pa×s	514.85	Calculated Property
η	0.0002509	Pa×s	549.48	Calculated Property
η	0.0001945	Pa×s	584.10	Calculated Property
η	0.0001551	Pa×s	618.73	Calculated Property

Property	Value	Unit	Temperature (K)	Source
Pvap	[1.33; 202.64]	kPa	[499.92; 671.11]	The Yaws Handbook of Vapor Pressure
Equation			ln(Y) = A + B/(T + C) Y is Pvap in kPa, T in K
Coefficient A			1.63563e+01
Coefficient B			-6.04763e+03
Coefficient C			-1.23560e+02
Temperature range, min.			499.92
Temperature range, max.			671.11
Pvap	1.33	kPa	499.92	Calculated Property
Pvap	2.89	kPa	518.94	Calculated Property
Pvap	5.83	kPa	537.96	Calculated Property
Pvap	11.06	kPa	556.98	Calculated Property
Pvap	19.88	kPa	576.00	Calculated Property
Pvap	34.09	kPa	595.03	Calculated Property
Pvap	56.06	kPa	614.05	Calculated Property
Pvap	88.83	kPa	633.07	Calculated Property
Pvap	136.17	kPa	652.09	Calculated Property
Pvap	202.64	kPa	671.11	Calculated Property

Similar Compounds

Find more compounds similar to Octadecane, 1-iodo-.

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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