Chemical Properties of isopentyl stearate (CAS 627-88-3)

InChI

InChI=1S/C23H46O2/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-23(24)25-21-20-22(2)3/h22H,4-21H2,1-3H3

InChI Key

WDQOEAOLRIMQDA-UHFFFAOYSA-N

Formula

C23H46O2

SMILES

CCCCCCCCCCCCCCCCCC(=O)OCCC(C)C

Molecular Weight¹

354.61

CAS

627-88-3

• 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).
• 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).
• V_c : Critical Volume (m³/kmol).
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Property	Value	Unit	Source
ω	1.0440		Relay (1.0) Calculated Property
ΔfG°	-93.58	kJ/mol	Joback Calculated Property
ΔfH°gas	-841.99	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	54.59	kJ/mol	Joback Calculated Property
ΔvapH°	106.68	kJ/mol	Relay (1.0) Calculated Property
IE	9.78	eV	Relay (1.0) Calculated Property
log10WS	-7.74		Relay (1.0) Calculated Property
logPoct/wat	7.837		Crippen Calculated Property
McVol	342.370	ml/mol	McGowan Calculated Property
Pc	879.48	kPa	Joback Calculated Property
Inp	[2448.60; 2448.60]
Inp	2448.60		NIST
Inp	2448.60		NIST
Tboil	614.11	K	Relay (1.0) Calculated Property
Tc	792.80	K	Relay (1.0) Calculated Property
Tfus	289.69	K	Relay (1.0) Calculated Property
Vc	1.334	m3/kmol	Relay (1.0) Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[1093.96; 1205.01]	J/mol×K	[801.49; 982.25]
Cp,gas	1093.96	J/mol×K	801.49	Joback Calculated Property
Cp,gas	1115.11	J/mol×K	831.62	Joback Calculated Property
Cp,gas	1135.16	J/mol×K	861.74	Joback Calculated Property
Cp,gas	1154.15	J/mol×K	891.87	Joback Calculated Property
Cp,gas	1172.09	J/mol×K	921.99	Joback Calculated Property
Cp,gas	1189.04	J/mol×K	952.12	Joback Calculated Property
Cp,gas	1205.01	J/mol×K	982.25	Joback Calculated Property
η	[0.0000444; 0.0014705]	Pa×s	[406.13; 801.49]
η	0.0014705	Pa×s	406.13	Joback Calculated Property
η	0.0005460	Pa×s	472.02	Joback Calculated Property
η	0.0002584	Pa×s	537.92	Joback Calculated Property
η	0.0001440	Pa×s	603.81	Joback Calculated Property
η	0.0000900	Pa×s	669.70	Joback Calculated Property
η	0.0000612	Pa×s	735.60	Joback Calculated Property
η	0.0000444	Pa×s	801.49	Joback Calculated Property

Correlations

Property	Value	Unit	Temperature (K)	Source
Pvap	[1.33; 202.63]	kPa	[549.80; 684.58]	The Yaws Handbook of Vapor Pressure
Equation			ln(Pvp) = A + B/(T + C)
Coefficient A			2.05917e+01
Coefficient B			-8.32366e+03
Coefficient C			-1.39850e+02
Temperature range, min.			549.80
Temperature range, max.			684.58
Pvap	1.33	kPa	549.80	Calculated Property
Pvap	2.73	kPa	564.78	Calculated Property
Pvap	5.31	kPa	579.75	Calculated Property
Pvap	9.90	kPa	594.73	Calculated Property
Pvap	17.75	kPa	609.70	Calculated Property
Pvap	30.67	kPa	624.68	Calculated Property
Pvap	51.31	kPa	639.65	Calculated Property
Pvap	83.29	kPa	654.63	Calculated Property
Pvap	131.55	kPa	669.60	Calculated Property
Pvap	202.63	kPa	684.58	Calculated Property

Similar Compounds

Find more compounds similar to isopentyl 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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