Chemical Properties of Eicosane, 1-iodo- (CAS 34994-81-5)

InChI

InChI=1S/C20H41I/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21/h2-20H2,1H3

InChI Key

UYBWORFIJZQKEP-UHFFFAOYSA-N

Formula

C20H41I

SMILES

CCCCCCCCCCCCCCCCCCCCI

Molecular Weight¹

408.44

CAS

34994-81-5

Other Names

• 1-Iodoeicosane

• 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	0.8986		Relay (1.0) Calculated Property
ΔfG°	175.64	kJ/mol	Joback Calculated Property
ΔfH°gas	-402.21	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	51.96	kJ/mol	Joback Calculated Property
ΔvapH°	118.50	kJ/mol	NIST
IE	9.42	eV	Relay (1.0) Calculated Property
log10WS	-8.89		Relay (1.0) Calculated Property
logPoct/wat	8.463		Crippen Calculated Property
McVol	318.480	ml/mol	McGowan Calculated Property
Pc	1001.44	kPa	Joback Calculated Property
Inp	[2519.00; 2519.00]
Inp	2519.00		NIST
Inp	2519.00		NIST
Tboil	623.78	K	Relay (1.0) Calculated Property
Tc	811.65	K	Relay (1.0) Calculated Property
Tfus	314.60 ± 1.50	K	NIST
Vc	1.252	m3/kmol	Relay (1.0) Calculated Property

Temperature Dependent Properties

Correlations

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[446.83; 1060.32]	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			-3.60100e+00
Coefficient B			1.94282e+00
Coefficient C			-1.14560e-03
Coefficient D			2.66700e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	446.83	J/mol×K	273.00	Calculated Property
Cp,gas	552.15	J/mol×K	353.78	Calculated Property
Cp,gas	646.21	J/mol×K	434.56	Calculated Property
Cp,gas	729.86	J/mol×K	515.33	Calculated Property
Cp,gas	803.94	J/mol×K	596.11	Calculated Property
Cp,gas	869.30	J/mol×K	676.89	Calculated Property
Cp,gas	926.77	J/mol×K	757.67	Calculated Property
Cp,gas	977.20	J/mol×K	838.44	Calculated Property
Cp,gas	1021.44	J/mol×K	919.22	Calculated Property
Cp,gas	1060.32	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0081390; 0.0001233]	Pa×s	[314.60; 651.42]	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			-1.29136e+01
Coefficient B			2.54906e+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.			314.60
Temperature range, max.			651.42
η	0.0081390	Pa×s	314.60	Calculated Property
η	0.0034393	Pa×s	352.02	Calculated Property
η	0.0017150	Pa×s	389.45	Calculated Property
η	0.0009662	Pa×s	426.87	Calculated Property
η	0.0005971	Pa×s	464.30	Calculated Property
η	0.0003964	Pa×s	501.72	Calculated Property
η	0.0002786	Pa×s	539.15	Calculated Property
η	0.0002050	Pa×s	576.57	Calculated Property
η	0.0001566	Pa×s	613.99	Calculated Property
η	0.0001233	Pa×s	651.42	Calculated Property

Property	Value	Unit	Temperature (K)	Source
Pvap	[1.33; 202.66]	kPa	[519.12; 698.41]	The Yaws Handbook of Vapor Pressure
Equation			ln(Y) = A + B/(T + C) Y is Pvap in kPa, T in K
Coefficient A			1.62087e+01
Coefficient B			-6.19153e+03
Coefficient C			-1.30232e+02
Temperature range, min.			519.12
Temperature range, max.			698.41
Pvap	1.33	kPa	519.12	Calculated Property
Pvap	2.90	kPa	539.04	Calculated Property
Pvap	5.85	kPa	558.96	Calculated Property
Pvap	11.12	kPa	578.88	Calculated Property
Pvap	19.99	kPa	598.80	Calculated Property
Pvap	34.26	kPa	618.73	Calculated Property
Pvap	56.29	kPa	638.65	Calculated Property
Pvap	89.10	kPa	658.57	Calculated Property
Pvap	136.40	kPa	678.49	Calculated Property
Pvap	202.66	kPa	698.41	Calculated Property

Similar Compounds

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

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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