Chemical Properties of Heptane, 4-iodo- (CAS 31294-93-6)

InChI

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

InChI Key

OQRWLPBTVGINDN-UHFFFAOYSA-N

Formula

C7H15I

SMILES

CCCC(I)CCC

Molecular Weight¹

226.10

CAS

31294-93-6

Other Names

• 4-Iodoheptane

• 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).
• 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_boilr : Boiling point at reduced pressure (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°	63.74	kJ/mol	Joback Calculated Property
ΔfH°gas	-116.22	kJ/mol	Joback Calculated Property
ΔfusH°	14.77	kJ/mol	Joback Calculated Property
ΔvapH°	40.16	kJ/mol	Joback Calculated Property
log10WS	-3.81		Crippen 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	[1061.00; 1121.00]
Inp	1121.00		NIST
Inp	1061.00		NIST
I	1265.00		NIST
Tboil	452.26	K	Joback Calculated Property
Tc	655.04	K	Joback Calculated Property
Tfus	211.71	K	Joback Calculated Property
Vc	0.509	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[249.32; 315.92]	J/mol×K	[452.26; 655.04]
Cp,gas	249.32	J/mol×K	452.26	Joback Calculated Property
Cp,gas	261.93	J/mol×K	486.06	Joback Calculated Property
Cp,gas	273.90	J/mol×K	519.85	Joback Calculated Property
Cp,gas	285.26	J/mol×K	553.65	Joback Calculated Property
Cp,gas	296.03	J/mol×K	587.45	Joback Calculated Property
Cp,gas	306.24	J/mol×K	621.25	Joback Calculated Property
Cp,gas	315.92	J/mol×K	655.04	Joback Calculated Property
η	[0.0003227; 0.0099031]	Pa×s	[211.71; 452.26]
η	0.0099031	Pa×s	211.71	Joback Calculated Property
η	0.0035535	Pa×s	251.80	Joback Calculated Property
η	0.0016897	Pa×s	291.89	Joback Calculated Property
η	0.0009615	Pa×s	331.99	Joback Calculated Property
η	0.0006178	Pa×s	372.08	Joback Calculated Property
η	0.0004326	Pa×s	412.17	Joback Calculated Property
η	0.0003227	Pa×s	452.26	Joback Calculated Property

Pressure Dependent Properties

Correlations

Property	Value	Unit	Temperature (K)	Source
Pvap	[1.33; 202.64]	kPa	[348.68; 495.98]	The Yaw...
Equation			ln(Pvp) = A + B/(T + C)
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, 4-iodo-.

Sources

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

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