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

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Temperature Dependent Properties

Correlations

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[466.99; 1111.39]	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			7.52600e+00
Coefficient B			1.94996e+00
Coefficient C			-1.02720e-03
Coefficient D			1.81100e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	466.99	J/mol×K	273.00	Calculated Property
Cp,gas	576.83	J/mol×K	353.78	Calculated Property
Cp,gas	675.78	J/mol×K	434.56	Calculated Property
Cp,gas	764.40	J/mol×K	515.33	Calculated Property
Cp,gas	843.27	J/mol×K	596.11	Calculated Property
Cp,gas	912.96	J/mol×K	676.89	Calculated Property
Cp,gas	974.04	J/mol×K	757.67	Calculated Property
Cp,gas	1027.09	J/mol×K	838.44	Calculated Property
Cp,gas	1072.68	J/mol×K	919.22	Calculated Property
Cp,gas	1111.39	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0028578; 0.0000944]	Pa×s	[353.76; 636.53]	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			-1.35334e+01
Coefficient B			2.71534e+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.			353.76
Temperature range, max.			636.53
η	0.0028578	Pa×s	353.76	Calculated Property
η	0.0015280	Pa×s	385.18	Calculated Property
η	0.0008979	Pa×s	416.60	Calculated Property
η	0.0005685	Pa×s	448.02	Calculated Property
η	0.0003821	Pa×s	479.44	Calculated Property
η	0.0002697	Pa×s	510.85	Calculated Property
η	0.0001982	Pa×s	542.27	Calculated Property
η	0.0001507	Pa×s	573.69	Calculated Property
η	0.0001179	Pa×s	605.11	Calculated Property
η	0.0000944	Pa×s	636.53	Calculated Property

Property	Value	Unit	Temperature (K)	Source
Pvap	[1.33; 202.65]	kPa	[525.80; 666.44]	The Yaws Handbook of Vapor Pressure
Equation			ln(Y) = A + B/(T + C) Y is Pvap in kPa, T in K
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
Pvap	[0.26; 0.78]	kPa	[454.80; 480.00]	NIST
Equation			ln(Y) = A + B/(T + C) Y is Pvap in kPa, T in K
Coefficient A			4.65187e+00
Coefficient B			-6.85777e+02
Coefficient C			-3.40193e+02
Reference			Bonhorst, Althouse, et al., 1948
Comment			Coefficents calculated by NIST from author's data.
Temperature range, min.			454.80
Temperature range, max.			480.00
Pvap	0.26	kPa	454.80	Calculated Property
Pvap	0.30	kPa	457.60	Calculated Property
Pvap	0.35	kPa	460.40	Calculated Property
Pvap	0.40	kPa	463.20	Calculated Property
Pvap	0.45	kPa	466.00	Calculated Property
Pvap	0.51	kPa	468.80	Calculated Property
Pvap	0.57	kPa	471.60	Calculated Property
Pvap	0.63	kPa	474.40	Calculated Property
Pvap	0.70	kPa	477.20	Calculated Property
Pvap	0.78	kPa	480.00	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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