Chemical Properties of Isopropyl palmitate (CAS 142-91-6)

InChI

InChI=1S/C19H38O2/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-19(20)21-18(2)3/h18H,4-17H2,1-3H3

InChI Key

XUGNVMKQXJXZCD-UHFFFAOYSA-N

Formula

C19H38O2

SMILES

CCCCCCCCCCCCCCCC(=O)OC(C)C

Molecular Weight¹

298.50

CAS

142-91-6

Other Names

• 1-methylethyl hexadecanoate
• 1-methylethyl hexandecanoate
• 2-propyl hexadecanoate
• Crodamol IPP
• Deltyl
• Deltyl Prime
• Emcol-IP
• Emerest 2316
• Estol 103
• Hexadecanoic acid, 1-methylethyl ester
• Hexadecanoic acid, isopropyl ester
• Isopal
• Isopalm
• Isopropyl ester of hexadecanoic acid
• Isopropyl hexadecanoate
• Isopropyl n-hexadecanoate
• Ja-fa ipp
• Ja-fa ippkessco
• Kessco IPP
• Kessco isopropyl palmitate
• Lexol IPP
• Liponate IPP
• NSC 69169
• Nikkol IPP
• Palmitic acid, isopropyl ester
• Plymouth IPP
• Propal
• Radia 7200
• Sinnoester PIT
• Starfol IPP
• Stepan D-70
• Tegester isopalm
• Tegosoft P
• USAF KE-5
• Unimate IPP
• Wickenol 111

• 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.
• I : 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

Property	Value	Unit	Source
ω	0.9036		Relay (1.0) Calculated Property
ΔfH°gas	-771.61	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	45.81	kJ/mol	Joback Calculated Property
ΔvapH°	95.14	kJ/mol	Relay (1.0) Calculated Property
IE	9.79	eV	Relay (1.0) Calculated Property
log10WS	-6.57		Relay (1.0) Calculated Property
logPoct/wat	6.419		Crippen Calculated Property
McVol	286.010	ml/mol	McGowan Calculated Property
Pc	1089.94	kPa	Joback Calculated Property
Inp	[1981.00; 2027.00]
Inp	Outlier 1981.00		NIST
Inp	1999.00		NIST
Inp	2011.00		NIST
Inp	2012.00		NIST
Inp	2017.00		NIST
Inp	2023.50		NIST
Inp	2023.00		NIST
Inp	2024.00		NIST
Inp	2027.00		NIST
Inp	2026.90		NIST
Inp	Outlier 1981.00		NIST
Inp	2023.00		NIST
Inp	2025.00		NIST
Inp	2024.00		NIST
Inp	2024.00		NIST
Inp	2026.00		NIST
Inp	2017.00		NIST
Inp	2013.00		NIST
Inp	2023.50		NIST
Inp	Outlier 1981.00		NIST
I	[2232.00; 2251.00]
I	2232.00		NIST
I	2232.00		NIST
I	2237.00		NIST
I	2251.00		NIST
I	2251.00		NIST
I	2232.00		NIST
I	2237.00		NIST
Tboil	562.73	K	Relay (1.0) Calculated Property
Tc	755.96	K	Relay (1.0) Calculated Property
Tfus	290.81	K	Relay (1.0) Calculated Property

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	[839.64; 943.88]	J/mol×K	[692.10; 860.33]
Cp,gas	839.64	J/mol×K	692.10	Joback Calculated Property
Cp,gas	859.22	J/mol×K	720.14	Joback Calculated Property
Cp,gas	877.89	J/mol×K	748.18	Joback Calculated Property
Cp,gas	895.67	J/mol×K	776.21	Joback Calculated Property
Cp,gas	912.58	J/mol×K	804.25	Joback Calculated Property
Cp,gas	928.65	J/mol×K	832.29	Joback Calculated Property
Cp,gas	943.88	J/mol×K	860.33	Joback Calculated Property
η	[0.0000695; 0.0037136]	Pa×s	[331.22; 692.10]
η	0.0037136	Pa×s	331.22	Joback Calculated Property
η	0.0011497	Pa×s	391.37	Joback Calculated Property
η	0.0004864	Pa×s	451.51	Joback Calculated Property
η	0.0002519	Pa×s	511.66	Joback Calculated Property
η	0.0001499	Pa×s	571.81	Joback Calculated Property
η	0.0000984	Pa×s	631.95	Joback Calculated Property
η	0.0000695	Pa×s	692.10	Joback Calculated Property
ΔvapH	73.60	kJ/mol	452.00	NIST

Correlations

Property	Value	Unit	Temperature (K)	Source
Pvap	[1.33; 202.67]	kPa	[501.32; 638.39]	The Yaws Handbook of Vapor Pressure
Equation			ln(Pvp) = A + B/(T + C)
Coefficient A			1.91779e+01
Coefficient B			-7.14651e+03
Coefficient C			-1.23004e+02
Temperature range, min.			501.32
Temperature range, max.			638.39
Pvap	1.33	kPa	501.32	Calculated Property
Pvap	2.77	kPa	516.55	Calculated Property
Pvap	5.45	kPa	531.78	Calculated Property
Pvap	10.21	kPa	547.01	Calculated Property
Pvap	18.31	kPa	562.24	Calculated Property
Pvap	31.59	kPa	577.47	Calculated Property
Pvap	52.60	kPa	592.70	Calculated Property
Pvap	84.82	kPa	607.93	Calculated Property
Pvap	132.87	kPa	623.16	Calculated Property
Pvap	202.67	kPa	638.39	Calculated Property

Similar Compounds

Find more compounds similar to Isopropyl palmitate.

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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