Chemical Properties of Dotriacontyl isopropyl ether

InChI

InChI=1S/C35H72O/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-25-26-27-28-29-30-31-32-33-34-36-35(2)3/h35H,4-34H2,1-3H3

InChI Key

NWEWOIRGJUOVMM-UHFFFAOYSA-N

Formula

C35H72O

SMILES

CCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCOC(C)C

Molecular Weight¹

508.95

• 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	1.4065		Relay (1.0) Calculated Property
ΔfG°	136.38	kJ/mol	Joback Calculated Property
ΔfH°gas	-913.52	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	84.07	kJ/mol	Joback Calculated Property
ΔvapH°	172.05	kJ/mol	Relay (1.0) Calculated Property
IE	10.05	eV	Relay (1.0) Calculated Property
log10WS	-11.54		Relay (1.0) Calculated Property
logPoct/wat	13.134		Crippen Calculated Property
McVol	509.880	ml/mol	McGowan Calculated Property
Pc	475.27	kPa	Joback Calculated Property
Inp	[3508.00; 3508.00]
Inp	3508.00		NIST
Inp	3508.00		NIST
Tboil	674.76	K	Relay (1.0) Calculated Property
Tc	847.71	K	Relay (1.0) Calculated Property
Tfus	323.36	K	Relay (1.0) Calculated Property
Vc	2.014	m3/kmol	Relay (1.0) Calculated Property

Correlations

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[763.05; 1844.05]	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			-5.10900e+00
Coefficient B			3.27156e+00
Coefficient C			-1.77240e-03
Coefficient D			3.50000e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	763.05	J/mol×K	273.00	Calculated Property
Cp,gas	945.96	J/mol×K	353.78	Calculated Property
Cp,gas	1110.59	J/mol×K	434.56	Calculated Property
Cp,gas	1258.04	J/mol×K	515.33	Calculated Property
Cp,gas	1389.42	J/mol×K	596.11	Calculated Property
Cp,gas	1505.85	J/mol×K	676.89	Calculated Property
Cp,gas	1608.41	J/mol×K	757.67	Calculated Property
Cp,gas	1698.23	J/mol×K	838.44	Calculated Property
Cp,gas	1776.41	J/mol×K	919.22	Calculated Property
Cp,gas	1844.05	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0003970; 0.0000116]	Pa×s	[491.44; 911.91]	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			-1.54946e+01
Coefficient B			3.76595e+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.			491.44
Temperature range, max.			911.91
η	0.0003970	Pa×s	491.44	Calculated Property
η	0.0002041	Pa×s	538.16	Calculated Property
η	0.0001167	Pa×s	584.88	Calculated Property
η	0.0000725	Pa×s	631.60	Calculated Property
η	0.0000481	Pa×s	678.31	Calculated Property
η	0.0000336	Pa×s	725.03	Calculated Property
η	0.0000245	Pa×s	771.75	Calculated Property
η	0.0000186	Pa×s	818.47	Calculated Property
η	0.0000145	Pa×s	865.19	Calculated Property
η	0.0000116	Pa×s	911.91	Calculated Property

Similar Compounds

Find more compounds similar to Dotriacontyl isopropyl ether.

Sources

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

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