Chemical Properties of Isopropyl triacontyl ether

InChI

InChI=1S/C33H68O/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-25-26-27-28-29-30-31-32-34-33(2)3/h33H,4-32H2,1-3H3

InChI Key

YAMBTAVKEBNPIV-UHFFFAOYSA-N

Formula

C33H68O

SMILES

CCCCCCCCCCCCCCCCCCCCCCCCCCCCCCOC(C)C

Molecular Weight¹

480.89

• 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).
• I_np : Non-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	1.3364		Relay (1.0) Calculated Property
ΔfG°	119.54	kJ/mol	Joback Calculated Property
ΔfH°gas	-872.43	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	78.89	kJ/mol	Joback Calculated Property
ΔvapH°	162.58	kJ/mol	Relay (1.0) Calculated Property
IE	9.97	eV	Relay (1.0) Calculated Property
log10WS	-11.00		Relay (1.0) Calculated Property
logPoct/wat	12.354		Crippen Calculated Property
McVol	481.700	ml/mol	McGowan Calculated Property
Pc	517.70	kPa	Joback Calculated Property
Inp	[3311.00; 3311.00]
Inp	3311.00		NIST
Inp	3311.00		NIST
Tboil	662.38	K	Relay (1.0) Calculated Property
Tc	836.55	K	Relay (1.0) Calculated Property
Tfus	320.09	K	Relay (1.0) Calculated Property
Vc	1.905	m3/kmol	Relay (1.0) Calculated Property

Correlations

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[720.63; 1740.87]	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			-3.29100e+00
Coefficient B			3.08156e+00
Coefficient C			-1.66360e-03
Coefficient D			3.26200e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	720.63	J/mol×K	273.00	Calculated Property
Cp,gas	893.13	J/mol×K	353.78	Calculated Property
Cp,gas	1048.43	J/mol×K	434.56	Calculated Property
Cp,gas	1187.58	J/mol×K	515.33	Calculated Property
Cp,gas	1311.60	J/mol×K	596.11	Calculated Property
Cp,gas	1421.52	J/mol×K	676.89	Calculated Property
Cp,gas	1518.38	J/mol×K	757.67	Calculated Property
Cp,gas	1603.20	J/mol×K	838.44	Calculated Property
Cp,gas	1677.02	J/mol×K	919.22	Calculated Property
Cp,gas	1740.87	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0005402; 0.0000170]	Pa×s	[468.90; 857.87]	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			-1.51533e+01
Coefficient B			3.57763e+03
Coefficient C			0.00000e+00
Coefficient D			0.00000e+00
Coefficient E			0.00000e+00
Temperature range, min.			468.90
Temperature range, max.			857.87
η	0.0005402	Pa×s	468.90	Calculated Property
η	0.0002838	Pa×s	512.12	Calculated Property
η	0.0001648	Pa×s	555.34	Calculated Property
η	0.0001035	Pa×s	598.56	Calculated Property
η	0.0000692	Pa×s	641.78	Calculated Property
η	0.0000487	Pa×s	684.99	Calculated Property
η	0.0000357	Pa×s	728.21	Calculated Property
η	0.0000271	Pa×s	771.43	Calculated Property
η	0.0000212	Pa×s	814.65	Calculated Property
η	0.0000170	Pa×s	857.87	Calculated Property

Similar Compounds

Find more compounds similar to Isopropyl triacontyl ether.

Sources

• Cheméo Relay (1.0)
• Crippen Method
• Crippen Method
• Joback Method
• McGowan Method
• NIST Webbook

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