Chemical Properties of Propane, 1-iodo- (CAS 107-08-4)

InChI

InChI=1S/C3H7I/c1-2-3-4/h2-3H2,1H3

InChI Key

PVWOIHVRPOBWPI-UHFFFAOYSA-N

Formula

C3H7I

SMILES

CCCI

Molecular Weight¹

169.99

CAS

107-08-4

Other Names

• 1-Jodpropan
• 1-iodopropane
• n-C3H7I
• n-Propyl iodide
• propyl iodide

• ω : Acentric Factor.
• C_p,gas : Ideal gas heat capacity (J/mol×K).
• C_p,liquid : Liquid phase 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_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).
• ρ_l : Liquid Density (kg/m³).
• I_np : Non-polar retention indices.
• I : 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).
• Z_c : Critical Compressibility.
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Property	Value	Unit	Source
ω	0.2240		KDB
ΔfG°	32.50	kJ/mol	Joback Calculated Property
ΔfH°gas	-31.00	kJ/mol	NIST
ΔfH°liquid	-65.70 ± 3.00	kJ/mol	NIST
ΔfusH°	7.93	kJ/mol	Joback Calculated Property
ΔvapH°	[36.25; 36.32]	kJ/mol
ΔvapH°	36.32	kJ/mol	NIST
ΔvapH°	36.30 ± 0.10	kJ/mol	NIST
ΔvapH°	36.25 ± 0.04	kJ/mol	NIST
IE	[9.25; 9.50]	eV
IE	9.26 ± 0.01	eV	NIST
IE	9.28	eV	NIST
IE	9.26	eV	NIST
IE	9.25 ± 0.01	eV	NIST
IE	9.26	eV	NIST
IE	9.26	eV	NIST
IE	9.26	eV	NIST
IE	9.27	eV	NIST
IE	9.27	eV	NIST
IE	9.26 ± 0.01	eV	NIST
IE	9.25	eV	NIST
IE	9.27	eV	NIST
IE	9.27	eV	NIST
IE	9.26 ± 0.01	eV	NIST
IE	Outlier 9.50	eV	NIST
log10WS	[-2.29; -2.29]
log10WS	-2.29		Aq. Solubility Prediction
log10WS	-2.29		Estimated Solubility
logPoct/wat	1.831		Crippen Calculated Property
McVol	78.950	ml/mol	McGowan Calculated Property
Pc	4280.00	kPa	KDB
Inp	[698.00; 729.00]
Inp	715.00		NIST
Inp	720.30		NIST
Inp	Outlier 729.00		NIST
Inp	719.00		NIST
Inp	700.00		NIST
Inp	719.00		NIST
Inp	705.00		NIST
Inp	711.00		NIST
Inp	705.00		NIST
Inp	698.00		NIST
Inp	700.00		NIST
Inp	705.00		NIST
Inp	702.00		NIST
Inp	715.00		NIST
Inp	705.00		NIST
I	[965.00; 975.00]
I	971.00		NIST
I	965.00		NIST
I	975.00		NIST
I	971.00		NIST
Tboil	[374.70; 376.20]	K
Tboil	375.60	K	KDB
Tboil	Outlier 374.70	K	NIST
Tboil	376.20	K	NIST
Tboil	375.70	K	NIST
Tboil	375.20 ± 1.00	K	NIST
Tboil	375.70 ± 2.00	K	NIST
Tboil	375.58 ± 0.50	K	NIST
Tboil	375.60 ± 0.50	K	NIST
Tboil	375.55 ± 0.20	K	NIST
Tc	589.40	K	KDB
Tfus	[171.75; 172.07]	K
Tfus	172.00	K	KDB
Tfus	172.07	K	Aq. Solubility Prediction
Tfus	171.75 ± 0.30	K	NIST
Vc	0.291	m3/kmol	KDB
Zc	0.2545870		KDB

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,liquid	[126.80; 136.20]	J/mol×K	[298.00; 298.15]
Cp,liquid	126.80	J/mol×K	298.00	NIST
Cp,liquid	136.20	J/mol×K	298.15	NIST
ΔvapH	[32.08; 37.80]	kJ/mol	[221.00; 375.70]
ΔvapH	37.80	kJ/mol	221.00	NIST
ΔvapH	37.00	kJ/mol	306.00	NIST
ΔvapH	36.80	kJ/mol	336.50	NIST
ΔvapH	35.43	kJ/mol	375.60	KDB
ΔvapH	32.08	kJ/mol	375.70	NIST
ρl	[1622.30; 1820.90]	kg/m3	[253.15; 358.15]
ρl	1820.90	kg/m3	253.15	Density of 1-Iodopropane and 1-Iodobutane within the Temperature Range from (253.15 to 383.15) K
ρl	1802.50	kg/m3	263.15	Density of 1-Iodopropane and 1-Iodobutane within the Temperature Range from (253.15 to 383.15) K
ρl	1784.50	kg/m3	273.15	Density of 1-Iodopropane and 1-Iodobutane within the Temperature Range from (253.15 to 383.15) K
ρl	1765.90	kg/m3	283.15	Density of 1-Iodopropane and 1-Iodobutane within the Temperature Range from (253.15 to 383.15) K
ρl	1747.80	kg/m3	293.15	Density of 1-Iodopropane and 1-Iodobutane within the Temperature Range from (253.15 to 383.15) K
ρl	1688.30	kg/m3	324.15	Density of 1-Iodopropane and 1-Iodobutane within the Temperature Range from (253.15 to 383.15) K
ρl	1652.20	kg/m3	343.15	Density of 1-Iodopropane and 1-Iodobutane within the Temperature Range from (253.15 to 383.15) K
ρl	1622.30	kg/m3	358.15	Density of 1-Iodopropane and 1-Iodobutane within the Temperature Range from (253.15 to 383.15) K

Correlations

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[86.20; 183.27]	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			1.18520e+01
Coefficient B			3.27820e-01
Coefficient C			-2.20800e-04
Coefficient D			6.44000e-08
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	86.20	J/mol×K	273.00	Calculated Property
Cp,gas	103.04	J/mol×K	353.78	Calculated Property
Cp,gas	117.90	J/mol×K	434.56	Calculated Property
Cp,gas	130.96	J/mol×K	515.33	Calculated Property
Cp,gas	142.45	J/mol×K	596.11	Calculated Property
Cp,gas	152.56	J/mol×K	676.89	Calculated Property
Cp,gas	161.49	J/mol×K	757.67	Calculated Property
Cp,gas	169.45	J/mol×K	838.44	Calculated Property
Cp,gas	176.64	J/mol×K	919.22	Calculated Property
Cp,gas	183.27	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0075085; 0.0003009]	Pa×s	[171.94; 412.58]	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			-1.04072e+01
Coefficient B			9.48340e+02
Coefficient C			0.00000e+00
Coefficient D			0.00000e+00
Coefficient E			0.00000e+00
Temperature range, min.			171.94
Temperature range, max.			412.58
η	0.0075085	Pa×s	171.94	Calculated Property
η	0.0035743	Pa×s	198.68	Calculated Property
η	0.0020291	Pa×s	225.42	Calculated Property
η	0.0012988	Pa×s	252.15	Calculated Property
η	0.0009057	Pa×s	278.89	Calculated Property
η	0.0006726	Pa×s	305.63	Calculated Property
η	0.0005240	Pa×s	332.37	Calculated Property
η	0.0004237	Pa×s	359.10	Calculated Property
η	0.0003529	Pa×s	385.84	Calculated Property
η	0.0003009	Pa×s	412.58	Calculated Property

Property	Value	Unit	Temperature (K)	Source
Pvap	[1.33; 203.34]	kPa	[270.82; 401.20]	The Yaws Handbook of Vapor Pressure
Equation			ln(Y) = A + B/(T + C) Y is Pvap in kPa, T in K
Coefficient A			1.48622e+01
Coefficient B			-3.60870e+03
Coefficient C			-2.32210e+01
Temperature range, min.			270.82
Temperature range, max.			401.20
Pvap	1.33	kPa	270.82	Calculated Property
Pvap	2.98	kPa	285.31	Calculated Property
Pvap	6.14	kPa	299.79	Calculated Property
Pvap	11.75	kPa	314.28	Calculated Property
Pvap	21.15	kPa	328.77	Calculated Property
Pvap	36.10	kPa	343.25	Calculated Property
Pvap	58.82	kPa	357.74	Calculated Property
Pvap	92.04	kPa	372.23	Calculated Property
Pvap	138.99	kPa	386.71	Calculated Property
Pvap	203.34	kPa	401.20	Calculated Property
Pvap	[3.21e-05; 5239.55]	kPa	[171.15; 593.00]	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			9.29299e+01
Coefficient B			-7.25894e+03
Coefficient C			-1.18977e+01
Coefficient D			1.09325e-05
Coefficient E			0.00000e+00
Temperature range, min.			171.15
Temperature range, max.			593.00
Pvap	3.21e-05	kPa	171.15	Calculated Property
Pvap	0.02	kPa	218.02	Calculated Property
Pvap	0.92	kPa	264.89	Calculated Property
Pvap	10.91	kPa	311.77	Calculated Property
Pvap	60.93	kPa	358.64	Calculated Property
Pvap	216.88	kPa	405.51	Calculated Property
Pvap	585.39	kPa	452.38	Calculated Property
Pvap	1330.64	kPa	499.26	Calculated Property
Pvap	2722.58	kPa	546.13	Calculated Property
Pvap	5239.55	kPa	593.00	Calculated Property
Pvap	[0.13; 101.19]	kPa	[237.00; 375.70]	NIST
Equation			ln(Y) = A + B/(T + C) Y is Pvap in kPa, T in K
Coefficient A			1.46125e+01
Coefficient B			-3.47094e+03
Coefficient C			-2.84490e+01
Reference			Stull, 1947
Temperature range, min.			237.00
Temperature range, max.			375.70
Pvap	0.13	kPa	237.00	Calculated Property
Pvap	0.41	kPa	252.41	Calculated Property
Pvap	1.12	kPa	267.82	Calculated Property
Pvap	2.69	kPa	283.23	Calculated Property
Pvap	5.85	kPa	298.64	Calculated Property
Pvap	11.70	kPa	314.06	Calculated Property
Pvap	21.80	kPa	329.47	Calculated Property
Pvap	38.22	kPa	344.88	Calculated Property
Pvap	63.61	kPa	360.29	Calculated Property
Pvap	101.19	kPa	375.70	Calculated Property

Similar Compounds

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

Sources

• KDB Vapor Pressure Data
• Crippen Method
• Determination of Partitioning Coefficients of Numerous Organic Solutes between a Long-Chain Aliphatic Alcohol and the Gas Phase as a Function of Temperature
• Density of 1-Iodopropane and 1-Iodobutane within the Temperature Range from (253.15 to 383.15) K
• Joback Method
• KDB
• Aqueous Solubility Prediction Method
• Estimated Solubility Method
• McGowan Method
• NIST Webbook
• The Yaws Handbook of Vapor Pressure

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