Chemical Properties of Octane, 2-iodo- (CAS 557-36-8)

InChI

InChI=1S/C8H17I/c1-3-4-5-6-7-8(2)9/h8H,3-7H2,1-2H3

InChI Key

XFLOGTUFKZCFTK-UHFFFAOYSA-N

Formula

C8H17I

SMILES

CCCCCCC(C)I

Molecular Weight¹

240.12

CAS

557-36-8

Other Names

• 2-Iodooctane
• 2-Octyl iodide
• sec-Octyl Iodide

• 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).
• 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
ΔfG°	72.16	kJ/mol	Joback Calculated Property
ΔfH°gas	-136.86	kJ/mol	Joback Calculated Property
ΔfusH°	17.36	kJ/mol	Joback Calculated Property
ΔvapH°	42.39	kJ/mol	Joback Calculated Property
log10WS	-4.23		Crippen Calculated Property
logPoct/wat	3.780		Crippen Calculated Property
McVol	149.400	ml/mol	McGowan Calculated Property
Pc	2500.00	kPa	Joback Calculated Property
Inp	[1119.00; 1124.00]
Inp	1119.00		NIST
Inp	1124.00		NIST
Tboil	475.14	K	Joback Calculated Property
Tc	675.39	K	Joback Calculated Property
Tfus	222.98	K	Joback Calculated Property
Vc	0.566	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[291.15; 363.61]	J/mol×K	[475.14; 675.39]
Cp,gas	291.15	J/mol×K	475.14	Joback Calculated Property
Cp,gas	304.85	J/mol×K	508.51	Joback Calculated Property
Cp,gas	317.86	J/mol×K	541.89	Joback Calculated Property
Cp,gas	330.22	J/mol×K	575.26	Joback Calculated Property
Cp,gas	341.94	J/mol×K	608.64	Joback Calculated Property
Cp,gas	353.06	J/mol×K	642.01	Joback Calculated Property
Cp,gas	363.61	J/mol×K	675.39	Joback Calculated Property
η	[0.0002962; 0.0094969]	Pa×s	[222.98; 475.14]
η	0.0094969	Pa×s	222.98	Joback Calculated Property
η	0.0033695	Pa×s	265.01	Joback Calculated Property
η	0.0015876	Pa×s	307.03	Joback Calculated Property
η	0.0008966	Pa×s	349.06	Joback Calculated Property
η	0.0005725	Pa×s	391.09	Joback Calculated Property
η	0.0003989	Pa×s	433.11	Joback Calculated Property
η	0.0002962	Pa×s	475.14	Joback Calculated Property

Correlations

Property	Value	Unit	Temperature (K)	Source
Pvap	[1.33; 202.64]	kPa	[361.52; 516.10]	The Yaw...
Equation			ln(Pvp) = A + B/(T + C)
Coefficient A			1.46081e+01
Coefficient B			-4.09643e+03
Coefficient C			-7.54660e+01
Temperature range, min.			361.52
Temperature range, max.			516.10
Pvap	1.33	kPa	361.52	Calculated Property
Pvap	3.00	kPa	378.70	Calculated Property
Pvap	6.19	kPa	395.87	Calculated Property
Pvap	11.86	kPa	413.05	Calculated Property
Pvap	21.35	kPa	430.22	Calculated Property
Pvap	36.38	kPa	447.40	Calculated Property
Pvap	59.16	kPa	464.57	Calculated Property
Pvap	92.33	kPa	481.75	Calculated Property
Pvap	138.98	kPa	498.92	Calculated Property
Pvap	202.64	kPa	516.10	Calculated Property

Similar Compounds

Find more compounds similar to Octane, 2-iodo-.

Sources

• Crippen Method
• Crippen Method
• Joback Method
• McGowan Method
• NIST Webbook
• The Yaws Handbook of Vapor Pressure

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