Chemical Properties of 1-Pentadecanol acetate (CAS 629-58-3)

InChI

InChI=1S/C17H34O2/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-19-17(2)18/h3-16H2,1-2H3

InChI Key

AAAIZLQILBFRTJ-UHFFFAOYSA-N

Formula

C17H34O2

SMILES

CCCCCCCCCCCCCCCOC(C)=O

Molecular Weight¹

270.45

CAS

629-58-3

Other Names

• Acetic acid, pentadecyl ester
• Pentadecyl acetate
• n-Pentadecyl 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	0.8601		Relay (1.0) Calculated Property
ΔfG°	-218.11	kJ/mol	Joback Calculated Property
ΔfH°gas	-722.35	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	44.15	kJ/mol	Joback Calculated Property
ΔvapH°	95.31	kJ/mol	Relay (1.0) Calculated Property
IE	9.69	eV	Relay (1.0) Calculated Property
log10WS	-6.06		Relay (1.0) Calculated Property
logPoct/wat	5.641		Crippen Calculated Property
McVol	257.830	ml/mol	McGowan Calculated Property
Pc	1235.48	kPa	Joback Calculated Property
Inp	[1843.00; 1907.40]
Inp	1857.00		NIST
Inp	1843.00		NIST
Inp	1850.00		NIST
Inp	Outlier 1907.40		NIST
Inp	1843.00		NIST
Inp	1857.00		NIST
Tboil	572.68	K	Relay (1.0) Calculated Property
Tc	749.59	K	Relay (1.0) Calculated Property
Tfus	293.77	K	Relay (1.0) Calculated Property
Vc	1.018	m3/kmol	Relay (1.0) Calculated Property

Correlations

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[382.45; 904.48]	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			1.28440e+01
Coefficient B			1.56404e+00
Coefficient C			-8.06400e-04
Coefficient D			1.34000e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	382.45	J/mol×K	273.00	Calculated Property
Cp,gas	471.17	J/mol×K	353.78	Calculated Property
Cp,gas	551.22	J/mol×K	434.56	Calculated Property
Cp,gas	623.03	J/mol×K	515.33	Calculated Property
Cp,gas	687.02	J/mol×K	596.11	Calculated Property
Cp,gas	743.61	J/mol×K	676.89	Calculated Property
Cp,gas	793.23	J/mol×K	757.67	Calculated Property
Cp,gas	836.30	J/mol×K	838.44	Calculated Property
Cp,gas	873.24	J/mol×K	919.22	Calculated Property
Cp,gas	904.48	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0034020; 0.0001596]	Pa×s	[323.68; 568.24]	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			-1.27919e+01
Coefficient B			2.30088e+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.			323.68
Temperature range, max.			568.24
η	0.0034020	Pa×s	323.68	Calculated Property
η	0.0019617	Pa×s	350.85	Calculated Property
η	0.0012244	Pa×s	378.03	Calculated Property
η	0.0008140	Pa×s	405.20	Calculated Property
η	0.0005697	Pa×s	432.37	Calculated Property
η	0.0004159	Pa×s	459.54	Calculated Property
η	0.0003145	Pa×s	486.72	Calculated Property
η	0.0002449	Pa×s	513.89	Calculated Property
η	0.0001956	Pa×s	541.06	Calculated Property
η	0.0001596	Pa×s	568.24	Calculated Property

Property	Value	Unit	Temperature (K)	Source
Pvap	[1.33; 202.62]	kPa	[489.72; 607.14]	The Yaws Handbook of Vapor Pressure
Equation			ln(Y) = A + B/(T + C) Y is Pvap in kPa, T in K
Coefficient A			2.12034e+01
Coefficient B			-7.76900e+03
Coefficient C			-1.18278e+02
Temperature range, min.			489.72
Temperature range, max.			607.14
Pvap	1.33	kPa	489.72	Calculated Property
Pvap	2.71	kPa	502.77	Calculated Property
Pvap	5.26	kPa	515.81	Calculated Property
Pvap	9.79	kPa	528.86	Calculated Property
Pvap	17.53	kPa	541.91	Calculated Property
Pvap	30.33	kPa	554.95	Calculated Property
Pvap	50.82	kPa	568.00	Calculated Property
Pvap	82.70	kPa	581.05	Calculated Property
Pvap	131.05	kPa	594.09	Calculated Property
Pvap	202.62	kPa	607.14	Calculated Property

Similar Compounds

Find more compounds similar to 1-Pentadecanol acetate.

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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