Chemical Properties of Heptadecyl acetate (CAS 822-20-8)

InChI

InChI=1S/C19H38O2/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-21-19(2)20/h3-18H2,1-2H3

InChI Key

BGBUNTANUVVMIQ-UHFFFAOYSA-N

Formula

C19H38O2

SMILES

CCCCCCCCCCCCCCCCCOC(C)=O

Molecular Weight¹

298.50

CAS

822-20-8

Other Names

• 1-Heptadecanol, acetate
• 1-Heptadecyl acetate
• Heptadecanyl acetate
• n-Heptadecyl acetate

• 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).
• 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).
• V_c : Critical Volume (m³/kmol).
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Property	Value	Unit	Source
ΔfG°	-124.82	kJ/mol	Joback Calculated Property
ΔfH°gas	-680.29	kJ/mol	Joback Calculated Property
ΔfusH°	47.75	kJ/mol	Joback Calculated Property
ΔvapH°	67.04	kJ/mol	Joback Calculated Property
log10WS	-6.64		Crippen Calculated Property
logPoct/wat	6.421		Crippen Calculated Property
McVol	286.010	ml/mol	McGowan Calculated Property
Pc	1114.08	kPa	Joback Calculated Property
Inp	[2089.00; 2106.80]
Inp	2089.00		NIST
Inp	2093.00		NIST
Inp	2106.80		NIST
Inp	2106.80		NIST
Inp	2089.00		NIST
I	[2453.00; 2453.00]
I	2453.00		NIST
I	2453.00		NIST
Tboil	710.41	K	Joback Calculated Property
Tc	879.90	K	Joback Calculated Property
Tfus	376.05	K	Joback Calculated Property
Vc	1.123	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[848.69; 951.34]	J/mol×K	[710.41; 879.90]
Cp,gas	848.69	J/mol×K	710.41	Joback Calculated Property
Cp,gas	867.91	J/mol×K	738.66	Joback Calculated Property
Cp,gas	886.25	J/mol×K	766.91	Joback Calculated Property
Cp,gas	903.75	J/mol×K	795.15	Joback Calculated Property
Cp,gas	920.41	J/mol×K	823.40	Joback Calculated Property
Cp,gas	936.27	J/mol×K	851.65	Joback Calculated Property
Cp,gas	951.34	J/mol×K	879.90	Joback Calculated Property
η	[0.0000838; 0.0018384]	Pa×s	[376.05; 710.41]
η	0.0018384	Pa×s	376.05	Joback Calculated Property
η	0.0007881	Pa×s	431.78	Joback Calculated Property
η	0.0004101	Pa×s	487.50	Joback Calculated Property
η	0.0002440	Pa×s	543.23	Joback Calculated Property
η	0.0001599	Pa×s	598.96	Joback Calculated Property
η	0.0001126	Pa×s	654.68	Joback Calculated Property
η	0.0000838	Pa×s	710.41	Joback Calculated Property

Correlations

Property	Value	Unit	Temperature (K)	Source
Pvap	[1.33; 202.67]	kPa	[524.92; 630.96]	The Yaw...
Equation			ln(Pvp) = A + B/(T + C)
Coefficient A			2.39980e+01
Coefficient B			-9.35164e+03
Coefficient C			-1.30510e+02
Temperature range, min.			524.92
Temperature range, max.			630.96
Pvap	1.33	kPa	524.92	Calculated Property
Pvap	2.65	kPa	536.70	Calculated Property
Pvap	5.07	kPa	548.48	Calculated Property
Pvap	9.37	kPa	560.27	Calculated Property
Pvap	16.75	kPa	572.05	Calculated Property
Pvap	29.05	kPa	583.83	Calculated Property
Pvap	48.98	kPa	595.61	Calculated Property
Pvap	80.50	kPa	607.40	Calculated Property
Pvap	129.16	kPa	619.18	Calculated Property
Pvap	202.67	kPa	630.96	Calculated Property

Similar Compounds

Find more compounds similar to Heptadecyl acetate.

Sources

• Crippen Method
• Crippen Method
• Joback Method
• McGowan Method
• NIST Webbook
• The Yaws Handbook of Vapor Pressure

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