Chemical Properties of octyl palmitate (CAS 16958-85-3)

InChI

InChI=1S/C24H48O2/c1-3-5-7-9-11-12-13-14-15-16-17-18-20-22-24(25)26-23-21-19-10-8-6-4-2/h3-23H2,1-2H3

InChI Key

OQILCOQZDHPEAZ-UHFFFAOYSA-N

Formula

C24H48O2

SMILES

CCCCCCCCCCCCCCCC(=O)OCCCCCCCC

Molecular Weight¹

368.64

CAS

16958-85-3

• 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	1.1159		Relay (1.0) Calculated Property
ΔfG°	-82.72	kJ/mol	Joback Calculated Property
ΔfH°gas	-854.30	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	60.70	kJ/mol	Joback Calculated Property
ΔvapH°	113.84	kJ/mol	Relay (1.0) Calculated Property
IE	9.78	eV	Relay (1.0) Calculated Property
log10WS	-8.04		Relay (1.0) Calculated Property
logPoct/wat	8.371		Crippen Calculated Property
McVol	356.460	ml/mol	McGowan Calculated Property
Pc	827.64	kPa	Joback Calculated Property
Inp	[2575.00; 2575.00]
Inp	2575.00		NIST
Inp	2575.00		NIST
Tboil	619.67	K	Relay (1.0) Calculated Property
Tc	804.07	K	Relay (1.0) Calculated Property
Tfus	305.58	K	Relay (1.0) Calculated Property
Vc	1.406	m3/kmol	Relay (1.0) Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[1156.81; 1270.08]	J/mol×K	[824.81; 1009.81]
Cp,gas	1156.81	J/mol×K	824.81	Joback Calculated Property
Cp,gas	1178.47	J/mol×K	855.64	Joback Calculated Property
Cp,gas	1198.97	J/mol×K	886.48	Joback Calculated Property
Cp,gas	1218.34	J/mol×K	917.31	Joback Calculated Property
Cp,gas	1236.63	J/mol×K	948.14	Joback Calculated Property
Cp,gas	1253.86	J/mol×K	978.97	Joback Calculated Property
Cp,gas	1270.08	J/mol×K	1009.81	Joback Calculated Property
η	[0.0000418; 0.0010603]	Pa×s	[432.40; 824.81]
η	0.0010603	Pa×s	432.40	Joback Calculated Property
η	0.0004342	Pa×s	497.80	Joback Calculated Property
η	0.0002188	Pa×s	563.20	Joback Calculated Property
η	0.0001271	Pa×s	628.61	Joback Calculated Property
η	0.0000818	Pa×s	694.01	Joback Calculated Property
η	0.0000568	Pa×s	759.41	Joback Calculated Property
η	0.0000418	Pa×s	824.81	Joback Calculated Property

Correlations

Property	Value	Unit	Temperature (K)	Source
Pvap	[1.33; 202.65]	kPa	[581.32; 690.28]	The Yaws Handbook of Vapor Pressure
Equation			ln(Pvp) = A + B/(T + C)
Coefficient A			2.51615e+01
Coefficient B			-1.07086e+04
Coefficient C			-1.50804e+02
Temperature range, min.			581.32
Temperature range, max.			690.28
Pvap	1.33	kPa	581.32	Calculated Property
Pvap	2.63	kPa	593.43	Calculated Property
Pvap	5.01	kPa	605.53	Calculated Property
Pvap	9.23	kPa	617.64	Calculated Property
Pvap	16.49	kPa	629.75	Calculated Property
Pvap	28.61	kPa	641.85	Calculated Property
Pvap	48.36	kPa	653.96	Calculated Property
Pvap	79.73	kPa	666.07	Calculated Property
Pvap	128.48	kPa	678.17	Calculated Property
Pvap	202.65	kPa	690.28	Calculated Property

Similar Compounds

Find more compounds similar to octyl 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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