Chemical Properties of Pentane, 1-iodo- (CAS 628-17-1)

InChI

InChI=1S/C5H11I/c1-2-3-4-5-6/h2-5H2,1H3

InChI Key

BLXSFCHWMBESKV-UHFFFAOYSA-N

Formula

C5H11I

SMILES

CCCCCI

Molecular Weight¹

198.05

CAS

628-17-1

Other Names

• 1-Iodopentane
• 1-Jodpentan
• 1-Pentyl iodide
• Amyl iodide
• N-AMYL IODIDE
• N-PENTYL IODIDE
• NSC 7901
• Pentyl iodide
• n-C5H11I

• 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_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_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°	49.34	kJ/mol	Joback Calculated Property
ΔfH°gas	-69.66	kJ/mol	Joback Calculated Property
ΔfusH°	13.11	kJ/mol	Joback Calculated Property
ΔvapH°	[44.40; 45.30]	kJ/mol
ΔvapH°	45.27	kJ/mol	NIST
ΔvapH°	44.40	kJ/mol	NIST
ΔvapH°	45.30 ± 0.10	kJ/mol	NIST
ΔvapH°	45.27 ± 0.02	kJ/mol	NIST
IE	[9.18; 9.40]	eV
IE	9.20 ± 0.01	eV	NIST
IE	9.18	eV	NIST
IE	9.20	eV	NIST
IE	9.20	eV	NIST
IE	9.18 ± 0.01	eV	NIST
IE	9.22	eV	NIST
IE	9.21	eV	NIST
IE	9.21	eV	NIST
IE	9.19 ± 0.01	eV	NIST
IE	Outlier 9.40	eV	NIST
log10WS	-2.86		Crippen Calculated Property
logPoct/wat	2.612		Crippen Calculated Property
McVol	107.130	ml/mol	McGowan Calculated Property
Pc	3380.21	kPa	Joback Calculated Property
Inp	[903.00; 928.00]
Inp	917.80		NIST
Inp	903.00		NIST
Inp	928.00		NIST
Inp	912.00		NIST
Inp	903.00		NIST
I	[1160.00; 1175.00]
I	1160.00		NIST
I	1164.00		NIST
I	1166.00		NIST
I	1175.00		NIST
I	1164.00		NIST
Tboil	[419.70; 430.20]	K
Tboil	430.15	K	KDB
Tboil	427.70	K	NIST
Tboil	430.20	K	NIST
Tboil	428.00	K	NIST
Tboil	419.70 ± 0.60	K	NIST
Tc	609.36	K	Joback Calculated Property
Tfus	187.55	K	KDB
Vc	0.404	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[172.12; 223.14]	J/mol×K	[406.94; 609.36]
Cp,gas	172.12	J/mol×K	406.94	Joback Calculated Property
Cp,gas	181.77	J/mol×K	440.68	Joback Calculated Property
Cp,gas	190.93	J/mol×K	474.41	Joback Calculated Property
Cp,gas	199.63	J/mol×K	508.15	Joback Calculated Property
Cp,gas	207.88	J/mol×K	541.89	Joback Calculated Property
Cp,gas	215.72	J/mol×K	575.63	Joback Calculated Property
Cp,gas	223.14	J/mol×K	609.36	Joback Calculated Property
Cp,liquid	193.60	J/mol×K	298.15	NIST
η	[0.0003861; 0.0061872]	Pa×s	[204.17; 406.94]
η	0.0061872	Pa×s	204.17	Joback Calculated Property
η	0.0028062	Pa×s	237.96	Joback Calculated Property
η	0.0015494	Pa×s	271.76	Joback Calculated Property
η	0.0009755	Pa×s	305.56	Joback Calculated Property
η	0.0006735	Pa×s	339.35	Joback Calculated Property
η	0.0004973	Pa×s	373.14	Joback Calculated Property
η	0.0003861	Pa×s	406.94	Joback Calculated Property
ΔvapH	43.10	kJ/mol	392.50	NIST

Correlations

Property	Value	Unit	Temperature (K)	Source
Pvap	[1.33; 202.64]	kPa	[319.12; 454.16]	The Yaw...
Equation			ln(Pvp) = A + B/(T + C)
Coefficient A			1.49242e+01
Coefficient B			-3.78193e+03
Coefficient C			-6.07320e+01
Temperature range, min.			319.12
Temperature range, max.			454.16
Pvap	1.33	kPa	319.12	Calculated Property
Pvap	2.98	kPa	334.12	Calculated Property
Pvap	6.11	kPa	349.13	Calculated Property
Pvap	11.69	kPa	364.13	Calculated Property
Pvap	21.04	kPa	379.14	Calculated Property
Pvap	35.91	kPa	394.14	Calculated Property
Pvap	58.53	kPa	409.15	Calculated Property
Pvap	91.62	kPa	424.15	Calculated Property
Pvap	138.42	kPa	439.16	Calculated Property
Pvap	202.64	kPa	454.16	Calculated Property
Pvap	[1.31; 265.07]	kPa	[312.15; 473.15]	KDB Vap...
Equation			ln(Pvp) = A + B/T + C*ln(T) + D*T^2
Coefficient A			9.41903e+01
Coefficient B			-8.49587e+03
Coefficient C			-1.17381e+01
Coefficient D			7.34893e-06
Temperature range, min.			312.15
Temperature range, max.			473.15
Pvap	1.31	kPa	312.15	Calculated Property
Pvap	3.25	kPa	330.04	Calculated Property
Pvap	7.17	kPa	347.93	Calculated Property
Pvap	14.44	kPa	365.82	Calculated Property
Pvap	26.86	kPa	383.71	Calculated Property
Pvap	46.77	kPa	401.59	Calculated Property
Pvap	77.01	kPa	419.48	Calculated Property
Pvap	120.87	kPa	437.37	Calculated Property
Pvap	182.14	kPa	455.26	Calculated Property
Pvap	265.07	kPa	473.15	Calculated Property

Similar Compounds

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

Sources

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

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