Chemical Properties of Pentadecanal- (CAS 2765-11-9)

InChI

InChI=1S/C15H30O/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16/h15H,2-14H2,1H3

InChI Key

XGQJZNCFDLXSIJ-UHFFFAOYSA-N

Formula

C15H30O

SMILES

CCCCCCCCCCCCCCC=O

Molecular Weight¹

226.40

CAS

2765-11-9

Other Names

• 1-Pentadecanal
• Pentadecanal
• n-Pentadecanal

• 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	0.8279		ChemSep v8.3 pure component data Compiled value
ΔfG°	-19.66	kJ/mol	ChemSep v8.3 pure component data Compiled value
ΔfH°gas	-438.51	kJ/mol	ChemSep v8.3 pure component data Compiled value
ΔfusH°	36.90	kJ/mol	Joback Calculated Property
ΔvapH°	85.34	kJ/mol	Relay (1.0) Calculated Property
IE	9.68	eV	Relay (1.0) Calculated Property
log10WS	-6.02		Relay (1.0) Calculated Property
logPoct/wat	5.277		Crippen Calculated Property
McVol	223.780	ml/mol	McGowan Calculated Property
Pc	1493.99	kPa	ChemSep v8.3 pure component data Compiled value
Inp	[1687.00; 1734.00]
Inp	1713.00		NIST
Inp	1714.00		NIST
Inp	1714.00		NIST
Inp	1715.00		NIST
Inp	1715.00		NIST
Inp	1713.00		NIST
Inp	1715.00		NIST
Inp	1731.00		NIST
Inp	1693.00		NIST
Inp	1717.00		NIST
Inp	1710.00		NIST
Inp	1707.00		NIST
Inp	1711.00		NIST
Inp	1717.00		NIST
Inp	1702.00		NIST
Inp	1713.00		NIST
Inp	1715.00		NIST
Inp	1711.00		NIST
Inp	1690.00		NIST
Inp	1695.00		NIST
Inp	1717.00		NIST
Inp	1717.00		NIST
Inp	1715.00		NIST
Inp	1715.00		NIST
Inp	1714.00		NIST
Inp	1721.00		NIST
Inp	1715.00		NIST
Inp	1714.00		NIST
Inp	1690.00		NIST
Inp	1692.00		NIST
Inp	1715.20		NIST
Inp	1716.00		NIST
Inp	1715.00		NIST
Inp	1713.00		NIST
Inp	1719.00		NIST
Inp	1716.00		NIST
Inp	1717.00		NIST
Inp	1715.00		NIST
Inp	1697.00		NIST
Inp	1707.00		NIST
Inp	1717.00		NIST
Inp	1702.00		NIST
Inp	1711.00		NIST
Inp	1708.00		NIST
Inp	1714.00		NIST
Inp	1724.00		NIST
Inp	1695.00		NIST
Inp	1705.00		NIST
Inp	1707.00		NIST
Inp	1693.00		NIST
Inp	1713.00		NIST
Inp	1716.00		NIST
Inp	1714.00		NIST
Inp	1697.00		NIST
Inp	1715.00		NIST
Inp	1690.00		NIST
Inp	1694.00		NIST
Inp	1715.00		NIST
Inp	1696.00		NIST
Inp	1690.00		NIST
Inp	1698.00		NIST
Inp	1720.00		NIST
Inp	1694.00		NIST
Inp	1697.00		NIST
Inp	1695.00		NIST
Inp	1690.00		NIST
Inp	1692.00		NIST
Inp	1710.00		NIST
Inp	1692.00		NIST
Inp	1696.00		NIST
Inp	1694.00		NIST
Inp	1693.00		NIST
Inp	1693.00		NIST
Inp	1720.00		NIST
Inp	1694.00		NIST
Inp	1710.00		NIST
Inp	1721.00		NIST
Inp	1702.00		NIST
Inp	1719.00		NIST
Inp	1713.00		NIST
Inp	1701.00		NIST
Inp	1728.00		NIST
Inp	1728.00		NIST
Inp	1695.00		NIST
Inp	1714.00		NIST
Inp	1714.00		NIST
Inp	1715.00		NIST
Inp	1710.00		NIST
Inp	1717.00		NIST
Inp	1728.00		NIST
Inp	1705.00		NIST
Inp	1728.00		NIST
Inp	1729.00		NIST
Inp	Outlier 1733.00		NIST
Inp	Outlier 1734.00		NIST
Inp	1698.00		NIST
Inp	1711.00		NIST
Inp	1712.00		NIST
Inp	1728.00		NIST
Inp	1690.00		NIST
Inp	1713.00		NIST
Inp	1725.00		NIST
Inp	1696.00		NIST
Inp	1687.00		NIST
Inp	1715.20		NIST
Inp	1715.00		NIST
Inp	1711.00		NIST
Inp	1705.00		NIST
Inp	1714.00		NIST
Inp	1694.00		NIST
Inp	1710.00		NIST
Inp	1693.00		NIST
Inp	1701.00		NIST
Inp	1698.00		NIST
Inp	1713.00		NIST
Ip	[1999.00; 2060.00]
Ip	2041.00		NIST
Ip	2016.00		NIST
Ip	2060.00		NIST
Ip	2024.00		NIST
Ip	2041.00		NIST
Ip	2041.00		NIST
Ip	2012.00		NIST
Ip	2042.00		NIST
Ip	2042.00		NIST
Ip	2041.00		NIST
Ip	2020.00		NIST
Ip	Outlier 2004.00		NIST
Ip	2041.00		NIST
Ip	2041.00		NIST
Ip	2054.00		NIST
Ip	2041.00		NIST
Ip	2041.00		NIST
Ip	2041.00		NIST
Ip	2041.00		NIST
Ip	2041.00		NIST
Ip	2041.00		NIST
Ip	2041.00		NIST
Ip	2041.00		NIST
Ip	2041.00		NIST
Ip	2041.00		NIST
Ip	2041.00		NIST
Ip	Outlier 1999.00		NIST
Ip	2044.00		NIST
Tboil	[559.15; 559.15]	K
Tboil	559.15	K	ChemSep v8.3 pure component data Compiled value
Tboil	559.15 ± 4.00	K	NIST
Tc	733.17	K	ChemSep v8.3 pure component data Compiled value
Tfus	[297.65; 298.00]	K
Tfus	297.65	K	Jean-Claude Bradley Open Melting Point Dataset (2014, CC0) Compiled value
Tfus	298.00	K	ChemSep v8.3 pure component data Compiled value
Tfus	298.00 ± 4.00	K	NIST
Tfus	297.70 ± 3.00	K	NIST
UQi	8.82		ChemSep v8.3 pure component data Compiled value
URi	10.67		ChemSep v8.3 pure component data Compiled value
Vc	0.882	m3/kmol	ChemSep v8.3 pure component data Compiled value
Zc	0.2161390		ChemSep v8.3 pure component data Compiled value

Correlations

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[289.18; 868.03]	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			1.47682e+02
Coefficient B			-5.00000e+02
Coefficient C			6.91307e+00
Coefficient D			0.00000e+00
Coefficient E			0.00000e+00
Temperature range, min.			255.00
Temperature range, max.			1500.00
Cp,gas	289.18	J/mol×K	255.00	Calculated Property
Cp,gas	429.68	J/mol×K	393.33	Calculated Property
Cp,gas	540.22	J/mol×K	531.67	Calculated Property
Cp,gas	624.34	J/mol×K	670.00	Calculated Property
Cp,gas	689.28	J/mol×K	808.33	Calculated Property
Cp,gas	740.51	J/mol×K	946.67	Calculated Property
Cp,gas	781.81	J/mol×K	1085.00	Calculated Property
Cp,gas	815.73	J/mol×K	1223.33	Calculated Property
Cp,gas	844.05	J/mol×K	1361.67	Calculated Property
Cp,gas	868.03	J/mol×K	1500.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0046662; 0.0003139]	Pa×s	[297.84; 513.22]	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			-1.17987e+01
Coefficient B			1.91547e+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.			297.84
Temperature range, max.			513.22
η	0.0046662	Pa×s	297.84	Calculated Property
η	0.0028922	Pa×s	321.77	Calculated Property
η	0.0019154	Pa×s	345.70	Calculated Property
η	0.0013380	Pa×s	369.63	Calculated Property
η	0.0009763	Pa×s	393.56	Calculated Property
η	0.0007387	Pa×s	417.50	Calculated Property
η	0.0005760	Pa×s	441.43	Calculated Property
η	0.0004608	Pa×s	465.36	Calculated Property
η	0.0003768	Pa×s	489.29	Calculated Property
η	0.0003139	Pa×s	513.22	Calculated Property

Similar Compounds

Find more compounds similar to Pentadecanal-.

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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