Chemical Properties of Ethane, iodo- (CAS 75-03-6)

InChI

InChI=1S/C2H5I/c1-2-3/h2H2,1H3

InChI Key

HVTICUPFWKNHNG-UHFFFAOYSA-N

Formula

C2H5I

SMILES

CCI

Molecular Weight¹

155.97

CAS

75-03-6

Other Names

• 1-Iodoethane
• C2H5I
• Ethyljodid
• Hydriodic ether
• Jodethan
• Monoiodoethane
• NSC 8825
• ethyl iodide
• iodoethane

• ω : Acentric Factor.
• PAff : Proton affinity (kJ/mol).
• BasG : Gas basicity (kJ/mol).
• Δ_cH°_liquid : Standard liquid enthalpy of combustion (kJ/mol).
• C_p,gas : Ideal gas heat capacity (J/mol×K).
• C_p,liquid : Liquid phase heat capacity (J/mol×K).
• μ : Dipole Moment (debye).
• η : Dynamic viscosity (Pa×s).
• Δ_fG° : Standard Gibbs free energy of formation (kJ/mol).
• R_g : Radius of Gyration.
• Δ_fH°_gas : Enthalpy of formation at standard conditions (kJ/mol).
• Δ_fH°_liquid : Liquid phase 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).
• n₀ : Refractive Index.
• ρ_l : Liquid Density (kg/m³).
• I_np : Non-polar retention indices.
• I_p : Polar retention indices.
• γ : Surface Tension (N/m).
• 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	[0.1610; 0.1840]
ω	0.1610		PSRK revision IV (2005), critical constants and acentric factors of 1000 components Compiled value
ω	0.1840		KDB
PAff	724.80	kJ/mol	NIST
BasG	698.30	kJ/mol	NIST
ΔcH°liquid	[-1466.00; -1462.50]	kJ/mol
ΔcH°liquid	-1462.50 ± 0.40	kJ/mol	NIST
ΔcH°liquid	-1466.00 ± 2.00	kJ/mol	NIST
μ	1.70	debye	KDB
ΔfG°	21.35	kJ/mol	KDB
Rg	0.2775		KDB
ΔfH°gas	[-8.80; -5.40]	kJ/mol
ΔfH°gas	-7.06 ± 0.38	kJ/mol	Active Thermochemical Tables 1.112, gas-phase enthalpies of formation Compiled value
ΔfH°gas	-8.37	kJ/mol	KDB
ΔfH°gas	-7.20 ± 0.80	kJ/mol	NIST
ΔfH°gas	-8.40	kJ/mol	NIST
ΔfH°gas	-8.80 ± 0.80	kJ/mol	NIST
ΔfH°gas	-5.40	kJ/mol	NIST
ΔfH°liquid	[-39.50; -35.00]	kJ/mol
ΔfH°liquid	-39.10 ± 0.80	kJ/mol	NIST
ΔfH°liquid	-39.50 ± 1.70	kJ/mol	NIST
ΔfH°liquid	-35.00	kJ/mol	NIST
ΔfusH°	5.34	kJ/mol	Joback Calculated Property
ΔvapH°	[29.80; 32.05]	kJ/mol
ΔvapH°	32.05	kJ/mol	NIST
ΔvapH°	31.70	kJ/mol	NIST
ΔvapH°	31.90 ± 0.10	kJ/mol	NIST
ΔvapH°	31.93 ± 0.02	kJ/mol	NIST
ΔvapH°	29.80 ± 0.30	kJ/mol	NIST
IE	[9.30; 9.60]	eV
IE	9.35 ± 0.00	eV	NIST
IE	9.35 ± 0.00	eV	NIST
IE	9.33	eV	NIST
IE	9.33	eV	NIST
IE	9.30	eV	NIST
IE	9.35	eV	NIST
IE	9.35 ± 0.01	eV	NIST
IE	9.35 ± 0.02	eV	NIST
IE	9.35	eV	NIST
IE	9.35	eV	NIST
IE	9.37	eV	NIST
IE	9.37	eV	NIST
IE	9.35 ± 0.02	eV	NIST
IE	9.33 ± 0.01	eV	NIST
IE	9.35 ± 0.01	eV	NIST
IE	9.35	eV	NIST
IE	9.33	eV	NIST
IE	9.34	eV	NIST
IE	Outlier 9.60	eV	NIST
IE	9.45 ± 0.02	eV	NIST
IE	9.34	eV	NIST
log10WS	[-1.60; -1.60]
log10WS	-1.60		Aq. Solubility Prediction
log10WS	-1.60		Estimated Solubility
logPoct/wat	1.441		Crippen Calculated Property
McVol	64.860	ml/mol	McGowan Calculated Property
Pc	[4700.00; 5542.48]	kPa
Pc	5542.48	kPa	PSRK revision IV (2005), critical constants and acentric factors of 1000 components Compiled value
Pc	4700.00	kPa	KDB
Inp	[586.00; 621.00]
Inp	601.00		NIST
Inp	614.00		NIST
Inp	621.00		NIST
Inp	607.00		NIST
Inp	586.00		NIST
Inp	617.60		NIST
Inp	591.00		NIST
Inp	598.00		NIST
Inp	609.00		NIST
Inp	602.00		NIST
Inp	616.00		NIST
Inp	602.00		NIST
Inp	601.00		NIST
Inp	600.00		NIST
Inp	601.00		NIST
Inp	602.00		NIST
Inp	614.00		NIST
Inp	591.00		NIST
Ip	[876.00; 901.65]
Ip	901.65		NIST
Ip	899.84		NIST
Ip	896.49		NIST
Ip	892.00		NIST
Ip	881.00		NIST
Ip	876.00		NIST
Ip	892.00		NIST
Ip	880.00		NIST
Ip	881.00		NIST
Ip	901.65		NIST
Tboil	[344.20; 346.35]	K
Tboil	345.50	K	Isobaric vapour-liquid equilibrium for binary systems of ethyl iodide with ethanol, propionic acid and ethyl propionate at 101.3 kPa
Tboil	345.60	K	KDB
Tboil	Outlier 344.20	K	NIST
Tboil	345.50	K	NIST
Tboil	345.60	K	NIST
Tboil	345.57 ± 0.10	K	NIST
Tboil	345.45 ± 0.40	K	NIST
Tboil	346.35 ± 0.30	K	NIST
Tboil	345.45 ± 0.25	K	NIST
Tboil	345.50 ± 0.50	K	NIST
Tboil	345.52 ± 0.25	K	NIST
Tboil	345.85 ± 0.30	K	NIST
Tboil	345.50 ± 0.40	K	NIST
Tboil	345.40 ± 1.00	K	NIST
Tc	[554.00; 565.00]	K
Tc	565.00	K	PSRK revision IV (2005), critical constants and acentric factors of 1000 components Compiled value
Tc	554.00	K	KDB
Tfus	[162.05; 165.00]	K
Tfus	163.65	K	Jean-Claude Bradley Open Melting Point Dataset (2014, CC0) Compiled value
Tfus	165.00	K	KDB
Tfus	163.62	K	Aq. Solubility Prediction
Tfus	162.05 ± 0.40	K	NIST
Tfus	162.30 ± 0.40	K	NIST
Vc	0.240	m3/kmol	PSRK revision IV (2005), critical constants and acentric factors of 1000 components Compiled value

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,liquid	[109.70; 115.10]	J/mol×K	[298.00; 298.15]
Cp,liquid	115.10	J/mol×K	298.00	NIST
Cp,liquid	109.70	J/mol×K	298.15	NIST
ΔvapH	[29.44; 34.70]	kJ/mol	[273.50; 345.60]
ΔvapH	32.00	kJ/mol	273.50	NIST
ΔvapH	34.70	kJ/mol	282.00	NIST
ΔvapH	33.60	kJ/mol	309.00	NIST
ΔvapH	31.70	kJ/mol	318.00	NIST
ΔvapH	29.77	kJ/mol	345.60	KDB
ΔvapH	29.44	kJ/mol	345.60	NIST
Pvap	101.30	kPa	345.50	Isobaric vapour-liquid equilibrium for binary systems of ethyl iodide with ethanol, propionic acid and ethyl propionate at 101.3 kPa
n0	1.50950		298.15	Experimental and predicted volumetric and refractive index properties of ternary mixtures of iodoethane with toluene and alcohols at temperature 298.15 K and pressure 101 kPa
ρl	[1923.80; 1950.00]	kg/m3	[293.00; 298.15]
ρl	1950.00	kg/m3	293.00	KDB
ρl	1923.80	kg/m3	298.15	Solubility and Liquid-Liquid Equilibrium of Aqueous Systems of Iodoethane with Methanol, Ethanol, or 1-Propanol at Temperature 298.15 K and Pressure 101.2 kPa
γ	0.03	N/m	293.20	KDB

Correlations

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[64.99; 131.68]	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			1.27610e+01
Coefficient B			2.32820e-01
Coefficient C			-1.66400e-04
Coefficient D			5.25000e-08
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	64.99	J/mol×K	273.00	Calculated Property
Cp,gas	76.63	J/mol×K	353.78	Calculated Property
Cp,gas	86.82	J/mol×K	434.56	Calculated Property
Cp,gas	95.74	J/mol×K	515.33	Calculated Property
Cp,gas	103.54	J/mol×K	596.11	Calculated Property
Cp,gas	110.40	J/mol×K	676.89	Calculated Property
Cp,gas	116.47	J/mol×K	757.67	Calculated Property
Cp,gas	121.93	J/mol×K	838.44	Calculated Property
Cp,gas	126.95	J/mol×K	919.22	Calculated Property
Cp,gas	131.68	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0063178; 0.0002995]	Pa×s	[163.32; 391.65]	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			-1.02944e+01
Coefficient B			8.54180e+02
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.			163.32
Temperature range, max.			391.65
η	0.0063178	Pa×s	163.32	Calculated Property
η	0.0031274	Pa×s	188.69	Calculated Property
η	0.0018289	Pa×s	214.06	Calculated Property
η	0.0011983	Pa×s	239.43	Calculated Property
η	0.0008514	Pa×s	264.80	Calculated Property
η	0.0006422	Pa×s	290.17	Calculated Property
η	0.0005068	Pa×s	315.54	Calculated Property
η	0.0004144	Pa×s	340.91	Calculated Property
η	0.0003483	Pa×s	366.28	Calculated Property
η	0.0002995	Pa×s	391.65	Calculated Property

Property	Value	Unit	Temperature (K)	Source
Pvap	[1.33; 202.64]	kPa	[251.46; 368.73]	The Yaws Handbook of Vapor Pressure
Equation			ln(Y) = A + B/(T + C) Y is Pvap in kPa, T in K
Coefficient A			1.45544e+01
Coefficient B			-3.07804e+03
Coefficient C			-3.57160e+01
Temperature range, min.			251.46
Temperature range, max.			368.73
Pvap	1.33	kPa	251.46	Calculated Property
Pvap	3.00	kPa	264.49	Calculated Property
Pvap	6.20	kPa	277.52	Calculated Property
Pvap	11.89	kPa	290.55	Calculated Property
Pvap	21.40	kPa	303.58	Calculated Property
Pvap	36.47	kPa	316.61	Calculated Property
Pvap	59.27	kPa	329.64	Calculated Property
Pvap	92.45	kPa	342.67	Calculated Property
Pvap	139.08	kPa	355.70	Calculated Property
Pvap	202.64	kPa	368.73	Calculated Property
Pvap	[1.10e-04; 5970.39]	kPa	[162.05; 561.00]	KDB Vapor Pressure Data
Equation			ln(Y) = A + B/T + C·ln(T) + D·T² + E/T² Y is Pvap in kPa, T in K
Coefficient A			6.81996e+01
Coefficient B			-5.85116e+03
Coefficient C			-8.13893e+00
Coefficient D			7.75920e-06
Coefficient E			0.00000e+00
Temperature range, min.			162.05
Temperature range, max.			561.00
Pvap	1.10e-04	kPa	162.05	Calculated Property
Pvap	0.04	kPa	206.38	Calculated Property
Pvap	1.47	kPa	250.71	Calculated Property
Pvap	15.74	kPa	295.03	Calculated Property
Pvap	83.55	kPa	339.36	Calculated Property
Pvap	289.13	kPa	383.69	Calculated Property
Pvap	761.73	kPa	428.02	Calculated Property
Pvap	1679.28	kPa	472.34	Calculated Property
Pvap	3291.20	kPa	516.67	Calculated Property
Pvap	5970.39	kPa	561.00	Calculated Property
Pvap	[0.13; 102.18]	kPa	[218.80; 345.60]	NIST
Equation			ln(Y) = A + B/(T + C) Y is Pvap in kPa, T in K
Coefficient A			1.40115e+01
Coefficient B			-2.87163e+03
Coefficient C			-3.96120e+01
Reference			Stull, 1947
Comment			Coefficents calculated by NIST from author's data.
Temperature range, min.			218.80
Temperature range, max.			345.60
Pvap	0.13	kPa	218.80	Calculated Property
Pvap	0.43	kPa	232.89	Calculated Property
Pvap	1.18	kPa	246.98	Calculated Property
Pvap	2.84	kPa	261.07	Calculated Property
Pvap	6.17	kPa	275.16	Calculated Property
Pvap	12.28	kPa	289.24	Calculated Property
Pvap	22.71	kPa	303.33	Calculated Property
Pvap	39.44	kPa	317.42	Calculated Property
Pvap	64.96	kPa	331.51	Calculated Property
Pvap	102.18	kPa	345.60	Calculated Property
Pvap	[21.55; 67.03]	kPa	[303.00; 333.00]	NIST
Equation			ln(Y) = A + B/(T + C) Y is Pvap in kPa, T in K
Coefficient A			1.38460e+01
Coefficient B			-2.74674e+03
Coefficient C			-4.80950e+01
Reference			Smyth and Engel, 1929
Comment			Coefficents calculated by NIST from author's data.
Temperature range, min.			303.00
Temperature range, max.			333.00
Pvap	21.55	kPa	303.00	Calculated Property
Pvap	24.77	kPa	306.33	Calculated Property
Pvap	28.36	kPa	309.67	Calculated Property
Pvap	32.37	kPa	313.00	Calculated Property
Pvap	36.82	kPa	316.33	Calculated Property
Pvap	41.76	kPa	319.67	Calculated Property
Pvap	47.20	kPa	323.00	Calculated Property
Pvap	53.21	kPa	326.33	Calculated Property
Pvap	59.80	kPa	329.67	Calculated Property
Pvap	67.03	kPa	333.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
γ	[0.05; 0.02]	N/m	[162.15; 345.55]	Jasper (1972), surface tension of pure liquid compounds Compiled value
Equation			Y = A + B·T + C·T² + D·T³ + E·T⁴ Y is γ in N/m, T in K
Coefficient A			6.67971e-02
Coefficient B			-1.28600e-04
Coefficient C			0.00000e+00
Coefficient D			0.00000e+00
Coefficient E			0.00000e+00
Temperature range, min.			162.15
Temperature range, max.			345.55
γ	0.05	N/m	162.15	Calculated Property
γ	0.04	N/m	182.53	Calculated Property
γ	0.04	N/m	202.91	Calculated Property
γ	0.04	N/m	223.28	Calculated Property
γ	0.04	N/m	243.66	Calculated Property
γ	0.03	N/m	264.04	Calculated Property
γ	0.03	N/m	284.42	Calculated Property
γ	0.03	N/m	304.79	Calculated Property
γ	0.02	N/m	325.17	Calculated Property
γ	0.02	N/m	345.55	Calculated Property

Similar Compounds

Find more compounds similar to Ethane, iodo-.

Mixtures

• Toluene + Ethane, iodo-
• Ethane, iodo- + Methyl Alcohol
• Ethane, iodo- + Ethanol
• 1-Propanol + Ethane, iodo-
• Toluene + Ethane, iodo- + Methyl Alcohol
• Toluene + Ethane, iodo- + Ethanol
• 1-Propanol + Toluene + Ethane, iodo-
• Ethane, iodo- + Propanoic acid
• Propanoic acid, ethyl ester + Ethane, iodo-
• Ethane, iodo- + Methyl Alcohol + Water
• Ethane, iodo- + Ethanol + Water
• 1-Propanol + Ethane, iodo- + Water

Sources

• KDB Vapor Pressure Data
• Active Thermochemical Tables 1.112, gas-phase enthalpies of formation ChEDL chemicals 1.5.2, from Active Thermochemical Tables (ATcT), version 1.112, Argonne National Laboratory; Ruscic, B. et al. Active Thermochemical Tables: Thermochemistry for the 21st Century. J. Phys.: Conf. Ser. 2005, 16, 561.
• 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).
• Jasper (1972), surface tension of pure liquid compounds ChEDL chemicals 1.5.2, from Jasper, J. J. The Surface Tension of Pure Liquid Compounds. J. Phys. Chem. Ref. Data 1972, 1, 841-1010 (as transcribed in Lange's Handbook).
• PSRK revision IV (2005), critical constants and acentric factors of 1000 components ChEDL chemicals 1.5.2, from Horstmann, S.; Jabłoniec, A.; Krafczyk, J.; Fischer, K.; Gmehling, J. PSRK Group Contribution Equation of State: Comprehensive Revision and Extension IV, Including Critical Constants and α-Function Parameters for 1000 Components. Fluid Phase Equilib. 2005, 227, 157-164.
• Crippen Method
• Experimental and predicted volumetric and refractive index properties of ternary mixtures of iodoethane with toluene and alcohols at temperature 298.15 K and pressure 101 kPa
• Isobaric vapour-liquid equilibrium for binary systems of ethyl iodide with ethanol, propionic acid and ethyl propionate at 101.3 kPa
• Solubility and Liquid-Liquid Equilibrium of Aqueous Systems of Iodoethane with Methanol, Ethanol, or 1-Propanol at Temperature 298.15 K and Pressure 101.2 kPa
• Joback Method
• KDB
• Aqueous Solubility Prediction Method
• Estimated Solubility Method
• McGowan Method
• NIST Webbook
• The Yaws Handbook of Vapor Pressure

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