Chemical Properties of Hexadecyl formate (CAS 4113-08-0)

InChI

InChI=1S/C17H34O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-19-17-18/h17H,2-16H2,1H3

InChI Key

NZHKUCFYLBRISS-UHFFFAOYSA-N

Formula

C17H34O2

SMILES

CCCCCCCCCCCCCCCCOC=O

Molecular Weight¹

270.45

CAS

4113-08-0

• 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	0.8869		Relay (... Calculated Property
ΔfG°	-112.26	kJ/mol	Joback Calculated Property
ΔfH°gas	-662.77	kJ/mol	Relay (... Calculated Property
ΔfusH°	43.26	kJ/mol	Joback Calculated Property
ΔvapH°	95.84	kJ/mol	Relay (... Calculated Property
IE	10.11	eV	Relay (... Calculated Property
log10WS	-6.61		Relay (... Calculated Property
logPoct/wat	5.641		Crippen Calculated Property
McVol	257.830	ml/mol	McGowan Calculated Property
Pc	1281.91	kPa	Joback Calculated Property
Inp	[1914.00; 1914.00]
Inp	1914.00		NIST
Inp	1914.00		NIST
Tboil	578.88	K	Relay (... Calculated Property
Tc	753.10	K	Relay (... Calculated Property
Tfus	306.89	K	Relay (... Calculated Property
Vc	1.010	m3/kmol	Relay (... Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[731.34; 828.83]	J/mol×K	[659.44; 824.45]
Cp,gas	731.34	J/mol×K	659.44	Joback Calculated Property
Cp,gas	749.45	J/mol×K	686.94	Joback Calculated Property
Cp,gas	766.79	J/mol×K	714.44	Joback Calculated Property
Cp,gas	783.38	J/mol×K	741.95	Joback Calculated Property
Cp,gas	799.24	J/mol×K	769.45	Joback Calculated Property
Cp,gas	814.38	J/mol×K	796.95	Joback Calculated Property
Cp,gas	828.83	J/mol×K	824.45	Joback Calculated Property
η	[0.0001198; 0.0025699]	Pa×s	[345.58; 659.44]
η	0.0025699	Pa×s	345.58	Joback Calculated Property
η	0.0011019	Pa×s	397.89	Joback Calculated Property
η	0.0005753	Pa×s	450.20	Joback Calculated Property
η	0.0003438	Pa×s	502.51	Joback Calculated Property
η	0.0002264	Pa×s	554.82	Joback Calculated Property
η	0.0001603	Pa×s	607.13	Joback Calculated Property
η	0.0001198	Pa×s	659.44	Joback Calculated Property

Correlations

Property	Value	Unit	Temperature (K)	Source
Pvap	[1.33; 202.69]	kPa	[498.52; 604.81]	The Yaw...
Equation			ln(Pvp) = A + B/(T + C)
Coefficient A			2.31402e+01
Coefficient B			-8.61965e+03
Coefficient C			-1.21336e+02
Temperature range, min.			498.52
Temperature range, max.			604.81
Pvap	1.33	kPa	498.52	Calculated Property
Pvap	2.67	kPa	510.33	Calculated Property
Pvap	5.13	kPa	522.14	Calculated Property
Pvap	9.49	kPa	533.95	Calculated Property
Pvap	16.97	kPa	545.76	Calculated Property
Pvap	29.40	kPa	557.57	Calculated Property
Pvap	49.49	kPa	569.38	Calculated Property
Pvap	81.12	kPa	581.19	Calculated Property
Pvap	129.70	kPa	593.00	Calculated Property
Pvap	202.69	kPa	604.81	Calculated Property

Similar Compounds

Find more compounds similar to Hexadecyl formate.

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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