Chemical Properties of Heptadecanal- (CAS 629-90-3)

InChI

InChI=1S/C17H34O/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18/h17H,2-16H2,1H3

InChI Key

PIYDVAYKYBWPPY-UHFFFAOYSA-N

Formula

C17H34O

SMILES

CCCCCCCCCCCCCCCCC=O

Molecular Weight¹

254.45

CAS

629-90-3

Other Names

• 1-Heptadecanal
• Heptadecanal
• n-Heptadecanal

• 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).
• I_np : Non-polar retention indices.
• I_p : Polar retention indices.
• T_boil : Normal Boiling Point Temperature (K).
• T_c : Critical Temperature (K).
• T_fus : Normal melting (fusion) point (K).
• U_Qi : UNIQUAC Qi Parameter.
• U_Ri : UNIQUAC Ri Parameter.
• V_c : Critical Volume (m³/kmol).
• Z_c : Critical Compressibility.
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Property	Value	Unit	Source
ω	0.9269		ChemSep v8.3 pure component data Compiled value
ΔfG°	-2.52	kJ/mol	ChemSep v8.3 pure component data Compiled value
ΔfH°gas	-479.79	kJ/mol	ChemSep v8.3 pure component data Compiled value
ΔfusH°	42.07	kJ/mol	Joback Calculated Property
ΔvapH°	95.01	kJ/mol	Relay (1.0) Calculated Property
IE	9.75	eV	Relay (1.0) Calculated Property
log10WS	-6.67		Relay (1.0) Calculated Property
logPoct/wat	6.057		Crippen Calculated Property
McVol	251.960	ml/mol	McGowan Calculated Property
Pc	1305.19	kPa	ChemSep v8.3 pure component data Compiled value
Inp	[1880.00; 1937.00]
Inp	1897.00		NIST
Inp	1898.00		NIST
Inp	1880.00		NIST
Inp	1880.00		NIST
Inp	1920.00		NIST
Inp	1920.00		NIST
Inp	1937.00		NIST
Inp	1895.00		NIST
Inp	1894.00		NIST
Inp	1895.00		NIST
Inp	1903.00		NIST
Inp	1922.00		NIST
Inp	1894.00		NIST
Inp	1895.00		NIST
Inp	1898.00		NIST
Inp	1895.00		NIST
Inp	1913.00		NIST
Inp	1930.00		NIST
Inp	1897.00		NIST
Inp	1920.00		NIST
Inp	1937.00		NIST
Inp	1930.00		NIST
Ip	[2247.00; 2249.00]
Ip	2247.00		NIST
Ip	2249.00		NIST
Tboil	[585.84; 591.15]	K
Tboil	585.84	K	ChemSep v8.3 pure component data Compiled value
Tboil	591.15 ± 4.00	K	NIST
Tc	754.02	K	ChemSep v8.3 pure component data Compiled value
Tfus	[309.00; 309.15]	K
Tfus	309.15	K	Jean-Claude Bradley Open Melting Point Dataset (2014, CC0) Compiled value
Tfus	309.00	K	ChemSep v8.3 pure component data Compiled value
Tfus	309.00 ± 4.00	K	NIST
Tfus	309.00 ± 4.00	K	NIST
UQi	9.90		ChemSep v8.3 pure component data Compiled value
URi	12.02		ChemSep v8.3 pure component data Compiled value
Vc	0.993	m3/kmol	ChemSep v8.3 pure component data Compiled value
Zc	0.2068240		ChemSep v8.3 pure component data Compiled value

Correlations

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[326.06; 981.88]	J/mol×K	[255.00; 1500.00]	ChemSep v8.3 pure component data Compiled value
Equation			Y = A + exp(B/T + C + D·T + E·T²) Y is Cp,gas in J/mol×K, T in K
Coefficient A			1.65751e+02
Coefficient B			-5.00000e+02
Coefficient C			7.03790e+00
Coefficient D			0.00000e+00
Coefficient E			0.00000e+00
Temperature range, min.			255.00
Temperature range, max.			1500.00
Cp,gas	326.06	J/mol×K	255.00	Calculated Property
Cp,gas	485.24	J/mol×K	393.33	Calculated Property
Cp,gas	610.48	J/mol×K	531.67	Calculated Property
Cp,gas	705.79	J/mol×K	670.00	Calculated Property
Cp,gas	779.35	J/mol×K	808.33	Calculated Property
Cp,gas	837.40	J/mol×K	946.67	Calculated Property
Cp,gas	884.19	J/mol×K	1085.00	Calculated Property
Cp,gas	922.62	J/mol×K	1223.33	Calculated Property
Cp,gas	954.70	J/mol×K	1361.67	Calculated Property
Cp,gas	981.88	J/mol×K	1500.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0051318; 0.0003054]	Pa×s	[309.04; 527.81]	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			-1.20799e+01
Coefficient B			2.10379e+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.			309.04
Temperature range, max.			527.81
η	0.0051318	Pa×s	309.04	Calculated Property
η	0.0031237	Pa×s	333.35	Calculated Property
η	0.0020342	Pa×s	357.65	Calculated Property
η	0.0013990	Pa×s	381.96	Calculated Property
η	0.0010062	Pa×s	406.27	Calculated Property
η	0.0007512	Pa×s	430.58	Calculated Property
η	0.0005785	Pa×s	454.89	Calculated Property
η	0.0004576	Pa×s	479.19	Calculated Property
η	0.0003702	Pa×s	503.50	Calculated Property
η	0.0003054	Pa×s	527.81	Calculated Property

Similar Compounds

Find more compounds similar to Heptadecanal-.

Sources

• Jean-Claude Bradley Open Melting Point Dataset (2014, CC0) ChEDL chemicals 1.5.2, from Bradley, J.-C.; Williams, A.; Lang, A. Jean-Claude Bradley Open Melting Point Dataset. Figshare, 2014 (CC0).
• Cheméo Relay (1.0)
• ChemSep v8.3 pure component data Converted from ChemSep v8.3 pure component data, H. Kooijman and R. Taylor (2021, 2022), Artistic License 2.0; see how the values differ.
• Crippen Method
• Crippen Method
• Joback Method
• McGowan Method
• NIST Webbook

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