Chemical Properties of Heptane, 1-iodo- (CAS 4282-40-0)

InChI

InChI=1S/C7H15I/c1-2-3-4-5-6-7-8/h2-7H2,1H3

InChI Key

LMHCYRULPLGEEZ-UHFFFAOYSA-N

Formula

C7H15I

SMILES

CCCCCCCI

Molecular Weight¹

226.10

CAS

4282-40-0

Other Names

• 1-Iodoheptane
• 1-Iodomeptane
• Heptyl iodide
• n-Heptyl 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_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).
• ν : Kinematic viscosity (m²/s).
• 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
ω	0.4032		Relay (1.0) Calculated Property
ΔfG°	66.18	kJ/mol	Joback Calculated Property
ΔfH°gas	-118.26	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	18.29	kJ/mol	Joback Calculated Property
ΔvapH°	55.00	kJ/mol	NIST
IE	9.03	eV	Relay (1.0) Calculated Property
log10WS	[-4.81; -4.81]
log10WS	-4.81		Aq. Solubility Prediction
log10WS	-4.81		Estimated Solubility
logPoct/wat	3.392		Crippen Calculated Property
McVol	135.310	ml/mol	McGowan Calculated Property
Pc	2735.42	kPa	Joback Calculated Property
Inp	[1114.00; 1132.00]
Inp	1114.00		NIST
Inp	1132.00		NIST
Inp	1122.00		NIST
Inp	1132.00		NIST
Inp	1114.00		NIST
Inp	1122.00		NIST
I	[1353.00; 1400.00]
I	1353.00		NIST
I	1384.00		NIST
I	1381.00		NIST
I	1400.00		NIST
I	1384.00		NIST
I	1353.00		NIST
I	1400.00		NIST
Tboil	477.20	K	NIST
Tc	672.72	K	Relay (1.0) Calculated Property
Tfus	225.08	K	Aq. Solubility Prediction
Vc	0.506	m3/kmol	Relay (1.0) Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[249.19; 314.07]	J/mol×K	[452.70; 650.84]
Cp,gas	249.19	J/mol×K	452.70	Joback Calculated Property
Cp,gas	261.42	J/mol×K	485.72	Joback Calculated Property
Cp,gas	273.06	J/mol×K	518.75	Joback Calculated Property
Cp,gas	284.11	J/mol×K	551.77	Joback Calculated Property
Cp,gas	294.62	J/mol×K	584.79	Joback Calculated Property
Cp,gas	304.59	J/mol×K	617.82	Joback Calculated Property
Cp,gas	314.07	J/mol×K	650.84	Joback Calculated Property
Cp,liquid	[246.90; 276.52]	J/mol×K	[293.15; 373.15]
Cp,liquid	246.90	J/mol×K	293.15	Temperature Dependence of the Thermophysical Properties of 1-Chlorohexane, 1-Iodohexane, 1-Iodoheptane, and 1-Chlorononane at Saturation Condition
Cp,liquid	251.80	J/mol×K	298.15	NIST
Cp,liquid	249.84	J/mol×K	298.15	Temperature Dependence of the Thermophysical Properties of 1-Chlorohexane, 1-Iodohexane, 1-Iodoheptane, and 1-Chlorononane at Saturation Condition
Cp,liquid	252.33	J/mol×K	303.15	Temperature Dependence of the Thermophysical Properties of 1-Chlorohexane, 1-Iodohexane, 1-Iodoheptane, and 1-Chlorononane at Saturation Condition
Cp,liquid	254.13	J/mol×K	308.15	Temperature Dependence of the Thermophysical Properties of 1-Chlorohexane, 1-Iodohexane, 1-Iodoheptane, and 1-Chlorononane at Saturation Condition
Cp,liquid	256.17	J/mol×K	313.15	Temperature Dependence of the Thermophysical Properties of 1-Chlorohexane, 1-Iodohexane, 1-Iodoheptane, and 1-Chlorononane at Saturation Condition
Cp,liquid	257.98	J/mol×K	318.15	Temperature Dependence of the Thermophysical Properties of 1-Chlorohexane, 1-Iodohexane, 1-Iodoheptane, and 1-Chlorononane at Saturation Condition
Cp,liquid	260.01	J/mol×K	323.15	Temperature Dependence of the Thermophysical Properties of 1-Chlorohexane, 1-Iodohexane, 1-Iodoheptane, and 1-Chlorononane at Saturation Condition
Cp,liquid	261.82	J/mol×K	328.15	Temperature Dependence of the Thermophysical Properties of 1-Chlorohexane, 1-Iodohexane, 1-Iodoheptane, and 1-Chlorononane at Saturation Condition
Cp,liquid	263.40	J/mol×K	333.15	Temperature Dependence of the Thermophysical Properties of 1-Chlorohexane, 1-Iodohexane, 1-Iodoheptane, and 1-Chlorononane at Saturation Condition
Cp,liquid	264.99	J/mol×K	338.15	Temperature Dependence of the Thermophysical Properties of 1-Chlorohexane, 1-Iodohexane, 1-Iodoheptane, and 1-Chlorononane at Saturation Condition
Cp,liquid	266.80	J/mol×K	343.15	Temperature Dependence of the Thermophysical Properties of 1-Chlorohexane, 1-Iodohexane, 1-Iodoheptane, and 1-Chlorononane at Saturation Condition
Cp,liquid	267.93	J/mol×K	348.15	Temperature Dependence of the Thermophysical Properties of 1-Chlorohexane, 1-Iodohexane, 1-Iodoheptane, and 1-Chlorononane at Saturation Condition
Cp,liquid	269.96	J/mol×K	353.15	Temperature Dependence of the Thermophysical Properties of 1-Chlorohexane, 1-Iodohexane, 1-Iodoheptane, and 1-Chlorononane at Saturation Condition
Cp,liquid	271.32	J/mol×K	358.15	Temperature Dependence of the Thermophysical Properties of 1-Chlorohexane, 1-Iodohexane, 1-Iodoheptane, and 1-Chlorononane at Saturation Condition
Cp,liquid	273.13	J/mol×K	363.15	Temperature Dependence of the Thermophysical Properties of 1-Chlorohexane, 1-Iodohexane, 1-Iodoheptane, and 1-Chlorononane at Saturation Condition
Cp,liquid	274.71	J/mol×K	368.15	Temperature Dependence of the Thermophysical Properties of 1-Chlorohexane, 1-Iodohexane, 1-Iodoheptane, and 1-Chlorononane at Saturation Condition
Cp,liquid	276.52	J/mol×K	373.15	Temperature Dependence of the Thermophysical Properties of 1-Chlorohexane, 1-Iodohexane, 1-Iodoheptane, and 1-Chlorononane at Saturation Condition
η	[0.0003384; 0.0062596]	Pa×s	[226.71; 452.70]
η	0.0062596	Pa×s	226.71	Joback Calculated Property
η	0.0027223	Pa×s	264.38	Joback Calculated Property
η	0.0014572	Pa×s	302.04	Joback Calculated Property
η	0.0008959	Pa×s	339.71	Joback Calculated Property
η	0.0006070	Pa×s	377.37	Joback Calculated Property
η	0.0004414	Pa×s	415.04	Joback Calculated Property
η	0.0003384	Pa×s	452.70	Joback Calculated Property
ΔvapH	47.80	kJ/mol	443.00	NIST
ν	[0.0000003; 0.0000012]	m2/s	[296.35; 423.15]
ν	0.0000012	m2/s	296.35	Kinematic Viscosity of 1-Iodohexane, 1-Iodoheptane, and 1-Chlorononane at Temperatures from (293.15 to 423.15) K
ν	0.0000012	m2/s	297.20	Kinematic Viscosity of 1-Iodohexane, 1-Iodoheptane, and 1-Chlorononane at Temperatures from (293.15 to 423.15) K
ν	0.0000011	m2/s	303.50	Kinematic Viscosity of 1-Iodohexane, 1-Iodoheptane, and 1-Chlorononane at Temperatures from (293.15 to 423.15) K
ν	0.0000009	m2/s	313.20	Kinematic Viscosity of 1-Iodohexane, 1-Iodoheptane, and 1-Chlorononane at Temperatures from (293.15 to 423.15) K
ν	0.0000009	m2/s	318.15	Kinematic Viscosity of 1-Iodohexane, 1-Iodoheptane, and 1-Chlorononane at Temperatures from (293.15 to 423.15) K
ν	0.0000008	m2/s	323.15	Kinematic Viscosity of 1-Iodohexane, 1-Iodoheptane, and 1-Chlorononane at Temperatures from (293.15 to 423.15) K
ν	0.0000008	m2/s	328.15	Kinematic Viscosity of 1-Iodohexane, 1-Iodoheptane, and 1-Chlorononane at Temperatures from (293.15 to 423.15) K
ν	0.0000007	m2/s	333.15	Kinematic Viscosity of 1-Iodohexane, 1-Iodoheptane, and 1-Chlorononane at Temperatures from (293.15 to 423.15) K
ν	0.0000007	m2/s	338.15	Kinematic Viscosity of 1-Iodohexane, 1-Iodoheptane, and 1-Chlorononane at Temperatures from (293.15 to 423.15) K
ν	0.0000007	m2/s	343.15	Kinematic Viscosity of 1-Iodohexane, 1-Iodoheptane, and 1-Chlorononane at Temperatures from (293.15 to 423.15) K
ν	0.0000006	m2/s	348.15	Kinematic Viscosity of 1-Iodohexane, 1-Iodoheptane, and 1-Chlorononane at Temperatures from (293.15 to 423.15) K
ν	0.0000006	m2/s	353.15	Kinematic Viscosity of 1-Iodohexane, 1-Iodoheptane, and 1-Chlorononane at Temperatures from (293.15 to 423.15) K
ν	0.0000005	m2/s	363.15	Kinematic Viscosity of 1-Iodohexane, 1-Iodoheptane, and 1-Chlorononane at Temperatures from (293.15 to 423.15) K
ν	0.0000005	m2/s	368.15	Kinematic Viscosity of 1-Iodohexane, 1-Iodoheptane, and 1-Chlorononane at Temperatures from (293.15 to 423.15) K
ν	0.0000005	m2/s	373.15	Kinematic Viscosity of 1-Iodohexane, 1-Iodoheptane, and 1-Chlorononane at Temperatures from (293.15 to 423.15) K
ν	0.0000005	m2/s	378.15	Kinematic Viscosity of 1-Iodohexane, 1-Iodoheptane, and 1-Chlorononane at Temperatures from (293.15 to 423.15) K
ν	0.0000005	m2/s	383.15	Kinematic Viscosity of 1-Iodohexane, 1-Iodoheptane, and 1-Chlorononane at Temperatures from (293.15 to 423.15) K
ν	0.0000004	m2/s	393.15	Kinematic Viscosity of 1-Iodohexane, 1-Iodoheptane, and 1-Chlorononane at Temperatures from (293.15 to 423.15) K
ν	0.0000004	m2/s	403.15	Kinematic Viscosity of 1-Iodohexane, 1-Iodoheptane, and 1-Chlorononane at Temperatures from (293.15 to 423.15) K
ν	0.0000004	m2/s	413.15	Kinematic Viscosity of 1-Iodohexane, 1-Iodoheptane, and 1-Chlorononane at Temperatures from (293.15 to 423.15) K
ν	0.0000003	m2/s	423.15	Kinematic Viscosity of 1-Iodohexane, 1-Iodoheptane, and 1-Chlorononane at Temperatures from (293.15 to 423.15) K

Correlations

Property	Value	Unit	Temperature (K)	Source
Pvap	[1.33; 202.65]	kPa	[356.68; 506.72]	The Yaws Handbook of Vapor Pressure
Equation			ln(Pvp) = A + B/(T + C)
Coefficient A			1.47838e+01
Coefficient B			-4.10093e+03
Coefficient C			-7.37840e+01
Temperature range, min.			356.68
Temperature range, max.			506.72
Pvap	1.33	kPa	356.68	Calculated Property
Pvap	2.99	kPa	373.35	Calculated Property
Pvap	6.15	kPa	390.02	Calculated Property
Pvap	11.77	kPa	406.69	Calculated Property
Pvap	21.18	kPa	423.36	Calculated Property
Pvap	36.12	kPa	440.04	Calculated Property
Pvap	58.81	kPa	456.71	Calculated Property
Pvap	91.94	kPa	473.38	Calculated Property
Pvap	138.67	kPa	490.05	Calculated Property
Pvap	202.65	kPa	506.72	Calculated Property

Similar Compounds

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

Sources

• Cheméo Relay (1.0)
• Crippen Method
• Temperature Dependence of the Thermophysical Properties of 1-Chlorohexane, 1-Iodohexane, 1-Iodoheptane, and 1-Chlorononane at Saturation Condition
• Kinematic Viscosity of 1-Iodohexane, 1-Iodoheptane, and 1-Chlorononane at Temperatures from (293.15 to 423.15) K
• Joback Method
• Aqueous Solubility Prediction Method
• Estimated Solubility Method
• McGowan Method
• NIST Webbook
• The Yaws Handbook of Vapor Pressure

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