Chemical Properties of Heptane, 2-iodo- (CAS 18589-29-2)

InChI

InChI=1S/C7H15I/c1-3-4-5-6-7(2)8/h7H,3-6H2,1-2H3

InChI Key

QAUTWECDRZFXMN-UHFFFAOYSA-N

Formula

C7H15I

SMILES

CCCCCC(C)I

Molecular Weight¹

226.10

CAS

18589-29-2

Other Names

• 2-Iodoheptane

• 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).
• 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_p : 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	0.3636		Relay (1.0) Calculated Property
ΔfG°	63.74	kJ/mol	Joback Calculated Property
ΔfH°gas	-98.46	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	14.77	kJ/mol	Joback Calculated Property
ΔvapH°	52.45	kJ/mol	Relay (1.0) Calculated Property
IE	8.94	eV	Relay (1.0) Calculated Property
log10WS	-4.48		Relay (1.0) Calculated Property
logPoct/wat	3.390		Crippen Calculated Property
McVol	135.310	ml/mol	McGowan Calculated Property
Pc	2758.46	kPa	Joback Calculated Property
Inp	[1076.00; 1136.00]
Inp	1136.00		NIST
Inp	1076.00		NIST
Inp	1076.00		NIST
Inp	1136.00		NIST
Ip	[1280.00; 1280.00]
Ip	1280.00		NIST
Ip	1280.00		NIST
Tboil	462.03	K	Relay (1.0) Calculated Property
Tc	670.54	K	Relay (1.0) Calculated Property
Tfus	194.23	K	Relay (1.0) Calculated Property
Vc	0.502	m3/kmol	Relay (1.0) Calculated Property

Correlations

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[170.74; 390.17]	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			6.53400e+00
Coefficient B			7.13740e-01
Coefficient C			-4.41600e-04
Coefficient D			1.11500e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	170.74	J/mol×K	273.00	Calculated Property
Cp,gas	208.71	J/mol×K	353.78	Calculated Property
Cp,gas	242.45	J/mol×K	434.56	Calculated Property
Cp,gas	272.33	J/mol×K	515.33	Calculated Property
Cp,gas	298.70	J/mol×K	596.11	Calculated Property
Cp,gas	321.91	J/mol×K	676.89	Calculated Property
Cp,gas	342.30	J/mol×K	757.67	Calculated Property
Cp,gas	360.25	J/mol×K	838.44	Calculated Property
Cp,gas	376.08	J/mol×K	919.22	Calculated Property
Cp,gas	390.17	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0099031; 0.0003093]	Pa×s	[211.71; 458.73]	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			-1.10520e+01
Coefficient B			1.36280e+03
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.			211.71
Temperature range, max.			458.73
η	0.0099031	Pa×s	211.71	Calculated Property
η	0.0047307	Pa×s	239.16	Calculated Property
η	0.0026312	Pa×s	266.60	Calculated Property
η	0.0016328	Pa×s	294.05	Calculated Property
η	0.0010993	Pa×s	321.50	Calculated Property
η	0.0007876	Pa×s	348.95	Calculated Property
η	0.0005924	Pa×s	376.39	Calculated Property
η	0.0004632	Pa×s	403.84	Calculated Property
η	0.0003737	Pa×s	431.29	Calculated Property
η	0.0003093	Pa×s	458.73	Calculated Property

Property	Value	Unit	Temperature (K)	Source
Pvap	[1.33; 202.64]	kPa	[348.68; 495.98]	The Yaws Handbook of Vapor Pressure
Equation			ln(Y) = A + B/(T + C) Y is Pvap in kPa, T in K
Coefficient A			1.47819e+01
Coefficient B			-4.02472e+03
Coefficient C			-7.10040e+01
Temperature range, min.			348.68
Temperature range, max.			495.98
Pvap	1.33	kPa	348.68	Calculated Property
Pvap	2.99	kPa	365.05	Calculated Property
Pvap	6.15	kPa	381.41	Calculated Property
Pvap	11.77	kPa	397.78	Calculated Property
Pvap	21.18	kPa	414.15	Calculated Property
Pvap	36.12	kPa	430.51	Calculated Property
Pvap	58.81	kPa	446.88	Calculated Property
Pvap	91.94	kPa	463.25	Calculated Property
Pvap	138.67	kPa	479.61	Calculated Property
Pvap	202.64	kPa	495.98	Calculated Property

Similar Compounds

Find more compounds similar to Heptane, 2-iodo-.

Sources

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

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