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°	-141.66	kJ/mol	Joback Calculated Property
ΔfH°gas	-722.35	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	42.57	kJ/mol	Joback Calculated Property
ΔvapH°	93.29	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	1271.87	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	746.08	K	Relay (1.0) Calculated Property
Tfus	297.59	K	Relay (1.0) Calculated Property
Vc	1.016	m3/kmol	Relay (1.0) Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[732.28; 830.80]	J/mol×K	[664.65; 832.26]
Cp,gas	732.28	J/mol×K	664.65	Joback Calculated Property
Cp,gas	750.62	J/mol×K	692.59	Joback Calculated Property
Cp,gas	768.17	J/mol×K	720.52	Joback Calculated Property
Cp,gas	784.95	J/mol×K	748.46	Joback Calculated Property
Cp,gas	800.97	J/mol×K	776.39	Joback Calculated Property
Cp,gas	816.25	J/mol×K	804.33	Joback Calculated Property
Cp,gas	830.80	J/mol×K	832.26	Joback Calculated Property
η	[0.0001081; 0.0022120]	Pa×s	[353.51; 664.65]
η	0.0022120	Pa×s	353.51	Joback Calculated Property
η	0.0009695	Pa×s	405.37	Joback Calculated Property
η	0.0005124	Pa×s	457.22	Joback Calculated Property
η	0.0003083	Pa×s	509.08	Joback Calculated Property
η	0.0002038	Pa×s	560.94	Joback Calculated Property
η	0.0001445	Pa×s	612.79	Joback Calculated Property
η	0.0001081	Pa×s	664.65	Joback Calculated Property

Correlations

Property	Value	Unit	Temperature (K)	Source
Pvap	[1.33; 202.62]	kPa	[489.72; 607.14]	The Yaws Handbook of Vapor Pressure
Equation			ln(Pvp) = A + B/(T + C)
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

Note: Cheméo is only indexing the data, follow the source links to retrieve the latest data. The source is also providing more information like the publication year, authors and more. Take the time to validate and double check the source of the data.
Outlier This icon means that the value is more than 2 standard deviations away from the property mean.