Chemical Properties of Isopropyl stearate (CAS 112-10-7)

InChI

InChI=1S/C21H42O2/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-21(22)23-20(2)3/h20H,4-19H2,1-3H3

InChI Key

ZPWFUIUNWDIYCJ-UHFFFAOYSA-N

Formula

C21H42O2

SMILES

CCCCCCCCCCCCCCCCCC(=O)OC(C)C

Molecular Weight¹

326.56

CAS

112-10-7

Other Names

• 1-Methylethyl octadecanoate
• Octadecanoic acid, 1-methylethyl ester
• Octadecanoic acid, isopropyl ester
• Revenge
• Stearic acid, isopropyl ester
• Tegosoft S
• Wickenol 127

• ω : Acentric Factor.
• C_p,gas : Ideal gas 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).
• Δ_vapH° : Enthalpy of vaporization at standard conditions (kJ/mol).
• Δ_vapH : Enthalpy of vaporization at a given temperature (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.
• T_boil : Normal Boiling Point Temperature (K).
• T_c : Critical Temperature (K).
• T_fus : Normal melting (fusion) point (K).
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Cheméo can also estimate Critical Volume, Standard Gibbs free energy of formation 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,gas	[959.83; 1067.48]	J/mol×K	[737.86; 909.33]
Cp,gas	959.83	J/mol×K	737.86	Joback Calculated Property
Cp,gas	980.18	J/mol×K	766.44	Joback Calculated Property
Cp,gas	999.53	J/mol×K	795.02	Joback Calculated Property
Cp,gas	1017.92	J/mol×K	823.59	Joback Calculated Property
Cp,gas	1035.35	J/mol×K	852.17	Joback Calculated Property
Cp,gas	1051.86	J/mol×K	880.75	Joback Calculated Property
Cp,gas	1067.48	J/mol×K	909.33	Joback Calculated Property
η	[0.0000526; 0.0028578]	Pa×s	[353.76; 737.86]
η	0.0028578	Pa×s	353.76	Joback Calculated Property
η	0.0008815	Pa×s	417.78	Joback Calculated Property
η	0.0003717	Pa×s	481.79	Joback Calculated Property
η	0.0001919	Pa×s	545.81	Joback Calculated Property
η	0.0001138	Pa×s	609.83	Joback Calculated Property
η	0.0000746	Pa×s	673.84	Joback Calculated Property
η	0.0000526	Pa×s	737.86	Joback Calculated Property
ΔvapH	76.60	kJ/mol	468.00	NIST

Correlations

Property	Value	Unit	Temperature (K)	Source
Pvap	[1.33; 202.65]	kPa	[525.80; 666.44]	The Yaws Handbook of Vapor Pressure
Equation			ln(Pvp) = A + B/(T + C)
Coefficient A			1.93960e+01
Coefficient B			-7.53425e+03
Coefficient C			-1.31510e+02
Temperature range, min.			525.80
Temperature range, max.			666.44
Pvap	1.33	kPa	525.80	Calculated Property
Pvap	2.76	kPa	541.43	Calculated Property
Pvap	5.43	kPa	557.05	Calculated Property
Pvap	10.16	kPa	572.68	Calculated Property
Pvap	18.22	kPa	588.31	Calculated Property
Pvap	31.44	kPa	603.93	Calculated Property
Pvap	52.38	kPa	619.56	Calculated Property
Pvap	84.57	kPa	635.19	Calculated Property
Pvap	132.64	kPa	650.81	Calculated Property
Pvap	202.65	kPa	666.44	Calculated Property

Similar Compounds

Find more compounds similar to Isopropyl stearate.

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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