Chemical Properties of Pentaerythrityl tetraiodide (CAS 1522-88-9)

InChI

InChI=1S/C5H8I4/c6-1-5(2-7,3-8)4-9/h1-4H2

InChI Key

HPMGSGCDKVCZHC-UHFFFAOYSA-N

Formula

C5H8I4

SMILES

ICC(CI)(CI)CI

Molecular Weight¹

575.73

CAS

1522-88-9

Other Names

• 2,2-Bis(iodomethyl)-1,3-diiodopropane
• Methane, tetrakis(iodomethyl)-
• Pentaerythritol tetraiodide
• Pentaerythrityl iodide
• Pentaerythryl tetraiodide
• Propane, 1,3-diiodo-2,2-bis(iodomethyl)-
• Propane, 2,2-bis(iodomethyl)-1,3-diiodo-

• C_p,gas : Ideal gas heat capacity (J/mol×K).
• C_p,solid : Solid phase heat capacity (J/mol×K).
• η : Dynamic viscosity (Pa×s).
• Δ_fH°_gas : Enthalpy of formation at standard conditions (kJ/mol).
• Δ_fusH° : Enthalpy of fusion at standard conditions (kJ/mol).
• IE : Ionization energy (eV).
• logP_oct/wat : Octanol/Water partition coefficient.
• McVol : McGowan's characteristic volume (ml/mol).
• P_vap : Vapor pressure (kPa).
• S°_{solid,1 bar} : Solid phase molar entropy at standard conditions (J/mol×K).
• T_boil : Normal Boiling Point Temperature (K).
• T_fus : Normal melting (fusion) point (K).
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Property	Value	Unit	Source
ΔfH°gas	166.09	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	18.92	kJ/mol	Joback Calculated Property
IE	8.66	eV	Relay (1.0) Calculated Property
logPoct/wat	3.713		Crippen Calculated Property
McVol	184.590	ml/mol	McGowan Calculated Property
S°solid,1 bar	[316.73; 316.94]	J/mol×K
S°solid,1 bar	316.94	J/mol×K	NIST
S°solid,1 bar	316.73	J/mol×K	NIST
Tboil	614.11	K	Relay (1.0) Calculated Property
Tfus	498.15	K	Jean-Claude Bradley Open Melting Point Dataset (2014, CC0) Compiled value

Cheméo can also estimate Critical Temperature, Critical Pressure, Critical Volume, Enthalpy of vaporization at standard conditions, Standard Gibbs free energy of formation, Acentric Factor, Log10 of Water solubility in mol/l for this compound, but they fall outside the models' validated range, so they are not shown here. Open the prediction tool to compute them on demand.

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,solid	[207.69; 209.62]	J/mol×K	[298.15; 298.15]
Cp,solid	209.62	J/mol×K	298.15	NIST
Cp,solid	207.70	J/mol×K	298.15	NIST
Cp,solid	207.69	J/mol×K	298.15	NIST

Correlations

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[178.40; 315.43]	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			2.06340e+01
Coefficient B			7.60600e-01
Coefficient C			-7.45600e-04
Coefficient D			2.79800e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	178.40	J/mol×K	273.00	Calculated Property
Cp,gas	208.79	J/mol×K	353.78	Calculated Property
Cp,gas	233.32	J/mol×K	434.56	Calculated Property
Cp,gas	252.88	J/mol×K	515.33	Calculated Property
Cp,gas	268.36	J/mol×K	596.11	Calculated Property
Cp,gas	280.63	J/mol×K	676.89	Calculated Property
Cp,gas	290.59	J/mol×K	757.67	Calculated Property
Cp,gas	299.13	J/mol×K	838.44	Calculated Property
Cp,gas	307.11	J/mol×K	919.22	Calculated Property
Cp,gas	315.43	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0006580; 0.0001554]	Pa×s	[498.15; 705.84]	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			-1.22314e+01
Coefficient B			2.44346e+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.			498.15
Temperature range, max.			705.84
η	0.0006580	Pa×s	498.15	Calculated Property
η	0.0005296	Pa×s	521.23	Calculated Property
η	0.0004341	Pa×s	544.30	Calculated Property
η	0.0003617	Pa×s	567.38	Calculated Property
η	0.0003056	Pa×s	590.46	Calculated Property
η	0.0002616	Pa×s	613.53	Calculated Property
η	0.0002264	Pa×s	636.61	Calculated Property
η	0.0001980	Pa×s	659.69	Calculated Property
η	0.0001747	Pa×s	682.76	Calculated Property
η	0.0001554	Pa×s	705.84	Calculated Property

Property	Value	Unit	Temperature (K)	Source
Pvap	[1.33; 202.65]	kPa	[515.60; 742.00]	The Yaws Handbook of Vapor Pressure
Equation			ln(Y) = A + B/(T + C) Y is Pvap in kPa, T in K
Coefficient A			1.38823e+01
Coefficient B			-5.25088e+03
Coefficient C			-1.29356e+02
Temperature range, min.			515.60
Temperature range, max.			742.00
Pvap	1.33	kPa	515.60	Calculated Property
Pvap	3.06	kPa	540.76	Calculated Property
Pvap	6.39	kPa	565.91	Calculated Property
Pvap	12.30	kPa	591.07	Calculated Property
Pvap	22.14	kPa	616.22	Calculated Property
Pvap	37.61	kPa	641.38	Calculated Property
Pvap	60.79	kPa	666.53	Calculated Property
Pvap	94.13	kPa	691.69	Calculated Property
Pvap	140.40	kPa	716.84	Calculated Property
Pvap	202.65	kPa	742.00	Calculated Property

Similar Compounds

Find more compounds similar to Pentaerythrityl tetraiodide.

Sources

• Jean-Claude Bradley Open Melting Point Dataset (2014, CC0) ChEDL chemicals 1.5.2, from Bradley, J.-C.; Williams, A.; Lang, A. Jean-Claude Bradley Open Melting Point Dataset. Figshare, 2014 (CC0).
• Cheméo Relay (1.0)
• Cheméo Relay (1.0, beta) Beta: served but experimental, data-limited and below our cross-validation release bar; the Joback value is recommended where available.
• Crippen Method
• Crippen Method
• Joback Method
• McGowan Method
• NIST Webbook
• The Yaws Handbook of Vapor Pressure

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