Chemical Properties of Octane, 1-iodo- (CAS 629-27-6)

InChI

InChI=1S/C8H17I/c1-2-3-4-5-6-7-8-9/h2-8H2,1H3

InChI Key

UWLHSHAHTBJTBA-UHFFFAOYSA-N

Formula

C8H17I

SMILES

CCCCCCCCI

Molecular Weight¹

240.12

CAS

629-27-6

Other Names

• 1-Iodooctane
• 1-Jodoktan
• 1-Octyl iodide
• 1-n-Octyl iodide
• Octyl iodide
• n-Octyl 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 : 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	0.4505		Relay (1.0) Calculated Property
ΔfG°	74.60	kJ/mol	Joback Calculated Property
ΔfH°gas	-141.04	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	20.88	kJ/mol	Joback Calculated Property
ΔvapH°	59.70	kJ/mol	NIST
IE	9.04	eV	Relay (1.0) Calculated Property
log10WS	-5.34		Relay (1.0) Calculated Property
logPoct/wat	3.782		Crippen Calculated Property
McVol	149.400	ml/mol	McGowan Calculated Property
Pc	2480.12	kPa	Joback Calculated Property
Inp	[1221.00; 1236.00]
Inp	1221.00		NIST
Inp	1236.00		NIST
Inp	1225.00		NIST
Inp	1236.00		NIST
Inp	1225.00		NIST
I	[1487.00; 1508.00]
I	1493.00		NIST
I	1487.00		NIST
I	1508.00		NIST
Tboil	[498.70; 499.15]	K
Tboil	498.70	K	NIST
Tboil	499.15 ± 0.60	K	NIST
Tc	695.07	K	Relay (1.0) Calculated Property
Tfus	227.45 ± 0.50	K	NIST
Vc	0.569	m3/kmol	Relay (1.0) Calculated Property

Temperature Dependent Properties

Pressure Dependent Properties

Correlations

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[192.27; 441.23]	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			7.30700e+00
Coefficient B			8.02820e-01
Coefficient C			-4.92800e-04
Coefficient D			1.23900e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	192.27	J/mol×K	273.00	Calculated Property
Cp,gas	235.13	J/mol×K	353.78	Calculated Property
Cp,gas	273.28	J/mol×K	434.56	Calculated Property
Cp,gas	307.11	J/mol×K	515.33	Calculated Property
Cp,gas	337.01	J/mol×K	596.11	Calculated Property
Cp,gas	363.36	J/mol×K	676.89	Calculated Property
Cp,gas	386.57	J/mol×K	757.67	Calculated Property
Cp,gas	407.02	J/mol×K	838.44	Calculated Property
Cp,gas	425.11	J/mol×K	919.22	Calculated Property
Cp,gas	441.23	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0080872; 0.0003228]	Pa×s	[227.45; 470.16]	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			-1.10568e+01
Coefficient B			1.41914e+03
Coefficient C			0.00000e+00
Coefficient D			0.00000e+00
Coefficient E			0.00000e+00
Temperature range, min.			227.45
Temperature range, max.			470.16
η	0.0080872	Pa×s	227.45	Calculated Property
η	0.0041742	Pa×s	254.42	Calculated Property
η	0.0024457	Pa×s	281.39	Calculated Property
η	0.0015734	Pa×s	308.35	Calculated Property
η	0.0010867	Pa×s	335.32	Calculated Property
η	0.0007930	Pa×s	362.29	Calculated Property
η	0.0006045	Pa×s	389.26	Calculated Property
η	0.0004773	Pa×s	416.22	Calculated Property
η	0.0003879	Pa×s	443.19	Calculated Property
η	0.0003228	Pa×s	470.16	Calculated Property

Property	Value	Unit	Temperature (K)	Source
Pvap	[1.33; 202.66]	kPa	[373.61; 529.33]	The Yaws Handbook of Vapor Pressure
Equation			ln(Y) = A + B/(T + C) Y is Pvap in kPa, T in K
Coefficient A			1.47947e+01
Coefficient B			-4.26424e+03
Coefficient C			-7.96660e+01
Temperature range, min.			373.61
Temperature range, max.			529.33
Pvap	1.33	kPa	373.61	Calculated Property
Pvap	2.99	kPa	390.91	Calculated Property
Pvap	6.15	kPa	408.21	Calculated Property
Pvap	11.76	kPa	425.52	Calculated Property
Pvap	21.17	kPa	442.82	Calculated Property
Pvap	36.11	kPa	460.12	Calculated Property
Pvap	58.79	kPa	477.42	Calculated Property
Pvap	91.92	kPa	494.73	Calculated Property
Pvap	138.66	kPa	512.03	Calculated Property
Pvap	202.66	kPa	529.33	Calculated Property
Pvap	[0.13; 100.73]	kPa	[318.90; 498.70]	NIST
Equation			ln(Y) = A + B/(T + C) Y is Pvap in kPa, T in K
Coefficient A			1.50366e+01
Coefficient B			-4.82430e+03
Coefficient C			-3.58980e+01
Reference			Stull, 1947
Temperature range, min.			318.90
Temperature range, max.			498.70
Pvap	0.13	kPa	318.90	Calculated Property
Pvap	0.41	kPa	338.88	Calculated Property
Pvap	1.10	kPa	358.86	Calculated Property
Pvap	2.64	kPa	378.83	Calculated Property
Pvap	5.72	kPa	398.81	Calculated Property
Pvap	11.44	kPa	418.79	Calculated Property
Pvap	21.36	kPa	438.77	Calculated Property
Pvap	37.62	kPa	458.74	Calculated Property
Pvap	62.94	kPa	478.72	Calculated Property
Pvap	100.73	kPa	498.70	Calculated Property

Similar Compounds

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

Sources

• Cheméo Relay (1.0)
• Crippen Method
• Crippen Method
• Joback Method
• McGowan Method
• NIST Webbook
• The Yaws Handbook of Vapor Pressure

Note: Cheméo is only indexing the data, follow the source links to retrieve the latest data. The source is also providing more information like the publication year, authors and more. Take the time to validate and double check the source of the data.
These property values are available through the Cheméo API. A free account gives you an access key.