Chemical Properties of 1-Acetoxynonadecane (CAS 53939-51-8)

InChI

InChI=1S/C21H42O2/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-23-21(2)22/h3-20H2,1-2H3

InChI Key

ZFVGKJKNNMIUDD-UHFFFAOYSA-N

Formula

C21H42O2

SMILES

CCCCCCCCCCCCCCCCCCCOC(C)=O

Molecular Weight¹

326.56

CAS

53939-51-8

Other Names

• Nonadecyl acetate

• 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	1.0007		Relay (1.0) Calculated Property
ΔfG°	-184.43	kJ/mol	Joback Calculated Property
ΔfH°gas	-804.70	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	54.51	kJ/mol	Joback Calculated Property
ΔvapH°	113.19	kJ/mol	Relay (1.0) Calculated Property
IE	9.81	eV	Relay (1.0) Calculated Property
log10WS	-7.36		Relay (1.0) Calculated Property
logPoct/wat	7.201		Crippen Calculated Property
McVol	314.190	ml/mol	McGowan Calculated Property
Pc	959.10	kPa	Joback Calculated Property
Inp	[2307.70; 2307.70]
Inp	2307.70		NIST
Inp	2307.70		NIST
Tboil	600.96	K	Relay (1.0) Calculated Property
Tc	782.61	K	Relay (1.0) Calculated Property
Tfus	310.80	K	Relay (1.0) Calculated Property
Vc	1.245	m3/kmol	Relay (1.0) Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[959.41; 1066.48]	J/mol×K	[738.30; 908.73]
Cp,gas	959.41	J/mol×K	738.30	Joback Calculated Property
Cp,gas	979.62	J/mol×K	766.71	Joback Calculated Property
Cp,gas	998.85	J/mol×K	795.11	Joback Calculated Property
Cp,gas	1017.12	J/mol×K	823.52	Joback Calculated Property
Cp,gas	1034.47	J/mol×K	851.92	Joback Calculated Property
Cp,gas	1050.92	J/mol×K	880.33	Joback Calculated Property
Cp,gas	1066.48	J/mol×K	908.73	Joback Calculated Property
η	[0.0000570; 0.0021582]	Pa×s	[368.76; 738.30]
η	0.0021582	Pa×s	368.76	Joback Calculated Property
η	0.0007635	Pa×s	430.35	Joback Calculated Property
η	0.0003503	Pa×s	491.94	Joback Calculated Property
η	0.0001912	Pa×s	553.53	Joback Calculated Property
η	0.0001178	Pa×s	615.12	Joback Calculated Property
η	0.0000793	Pa×s	676.71	Joback Calculated Property
η	0.0000570	Pa×s	738.30	Joback Calculated Property

Correlations

Property	Value	Unit	Temperature (K)	Source
Pvap	[1.33; 202.61]	kPa	[560.12; 652.90]	The Yaws Handbook of Vapor Pressure
Equation			ln(Pvp) = A + B/(T + C)
Coefficient A			2.79107e+01
Coefficient B			-1.15293e+04
Coefficient C			-1.42742e+02
Temperature range, min.			560.12
Temperature range, max.			652.90
Pvap	1.33	kPa	560.12	Calculated Property
Pvap	2.59	kPa	570.43	Calculated Property
Pvap	4.89	kPa	580.74	Calculated Property
Pvap	8.96	kPa	591.05	Calculated Property
Pvap	15.98	kPa	601.36	Calculated Property
Pvap	27.77	kPa	611.66	Calculated Property
Pvap	47.13	kPa	621.97	Calculated Property
Pvap	78.21	kPa	632.28	Calculated Property
Pvap	127.13	kPa	642.59	Calculated Property
Pvap	202.61	kPa	652.90	Calculated Property

Similar Compounds

Find more compounds similar to 1-Acetoxynonadecane.

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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