Chemical Properties of Pentadecanoic acid (CAS 1002-84-2)

InChI

InChI=1S/C15H30O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15(16)17/h2-14H2,1H3,(H,16,17)

InChI Key

WQEPLUUGTLDZJY-UHFFFAOYSA-N

Formula

C15H30O2

SMILES

CCCCCCCCCCCCCCC(=O)O

Molecular Weight¹

242.40

CAS

1002-84-2

Other Names

• Pentadecanoic (Palmitic) acid
• Pentadecylic acid
• n-Pentadecanoic acid
• n-Pentadecylic acid

• Δ_cH°_liquid : Standard liquid enthalpy of combustion (kJ/mol).
• C_p,gas : Ideal gas heat capacity (J/mol×K).
• C_p,solid : Solid phase 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_fusH : Enthalpy of fusion at a given temperature (kJ/mol).
• Δ_subH° : Enthalpy of sublimation at standard conditions (kJ/mol).
• Δ_subH : Enthalpy of sublimation at a given temperature (kJ/mol).
• Δ_vapH° : Enthalpy of vaporization at standard conditions (kJ/mol).
• Δ_vapH : Enthalpy of vaporization at a given temperature (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.
• Δ_fusS : Entropy of fusion at a given temperature (J/mol×K).
• T_boil : Normal Boiling Point Temperature (K).
• T_boilr : Boiling point at reduced pressure (K).
• T_c : Critical Temperature (K).
• T_fus : Normal melting (fusion) point (K).
• T_triple : Triple Point Temperature (K).
• V_c : Critical Volume (m³/kmol).
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Property	Value	Unit	Source
ΔcH°liquid	-9327.70 ± 1.50	kJ/mol	NIST
ΔfG°	-190.32	kJ/mol	Joback Calculated Property
ΔfH°gas	-617.74	kJ/mol	Joback Calculated Property
ΔfusH°	40.29	kJ/mol	Joback Calculated Property
ΔsubH°	156.00	kJ/mol	NIST
ΔvapH°	72.41	kJ/mol	Joback Calculated Property
log10WS	-4.31		Aq. Sol...
logPoct/wat	5.162		Crippen Calculated Property
McVol	229.650	ml/mol	McGowan Calculated Property
Pc	1551.34 ± 85.00	kPa	NIST
Inp	[306.30; 1890.00]
Inp	1865.00		NIST
Inp	1867.00		NIST
Inp	1868.00		NIST
Inp	1840.00		NIST
Inp	1843.00		NIST
Inp	1867.00		NIST
Inp	1869.00		NIST
Inp	1869.00		NIST
Inp	1869.00		NIST
Inp	1869.00		NIST
Inp	1857.00		NIST
Inp	1857.00		NIST
Inp	1868.40		NIST
Inp	1823.00		NIST
Inp	1823.00		NIST
Inp	1863.00		NIST
Inp	1867.00		NIST
Inp	1878.00		NIST
Inp	1857.00		NIST
Inp	1887.00		NIST
Inp	1872.00		NIST
Inp	1869.00		NIST
Inp	1844.00		NIST
Inp	1872.00		NIST
Inp	1845.00		NIST
Inp	1844.00		NIST
Inp	1844.00		NIST
Inp	1865.00		NIST
Inp	1833.00		NIST
Inp	1839.00		NIST
Inp	1867.10		NIST
Inp	1860.00		NIST
Inp	1867.00		NIST
Inp	1848.00		NIST
Inp	1862.00		NIST
Inp	1862.00		NIST
Inp	1843.00		NIST
Inp	1845.00		NIST
Inp	1862.00		NIST
Inp	1878.00		NIST
Inp	1856.00		NIST
Inp	1882.00		NIST
Inp	1868.00		NIST
Inp	1883.00		NIST
Inp	1865.00		NIST
Inp	1873.00		NIST
Inp	1866.20		NIST
Inp	1881.00		NIST
Inp	1865.00		NIST
Inp	1857.00		NIST
Inp	1857.00		NIST
Inp	1869.00		NIST
Inp	1870.00		NIST
Inp	1880.00		NIST
Inp	1858.00		NIST
Inp	1866.00		NIST
Inp	1868.00		NIST
Inp	1858.00		NIST
Inp	1848.00		NIST
Inp	1845.00		NIST
Inp	1851.00		NIST
Inp	1861.00		NIST
Inp	1862.00		NIST
Inp	1877.00		NIST
Inp	1890.00		NIST
Inp	1857.00		NIST
Inp	1845.00		NIST
Inp	1857.00		NIST
Inp	1873.00		NIST
Inp	1876.00		NIST
Inp	1878.00		NIST
Inp	1842.00		NIST
Inp	1859.00		NIST
Inp	1865.00		NIST
Inp	1860.00		NIST
Inp	1881.00		NIST
Inp	1869.00		NIST
Inp	1867.00		NIST
Inp	1855.00		NIST
Inp	1871.00		NIST
Inp	1841.00		NIST
Inp	1850.00		NIST
Inp	1854.00		NIST
Inp	Outlier 308.82		NIST
Inp	Outlier 319.90		NIST
Inp	Outlier 306.30		NIST
Inp	1877.00		NIST
Inp	1873.00		NIST
Inp	1865.00		NIST
Inp	1855.00		NIST
I	[2777.00; 2836.00]
I	2791.00		NIST
I	Outlier 2779.00		NIST
I	2791.00		NIST
I	2819.00		NIST
I	2821.00		NIST
I	2809.00		NIST
I	2819.00		NIST
I	2836.00		NIST
I	Outlier 2777.00		NIST
I	2820.00		NIST
I	2822.00		NIST
I	2822.00		NIST
I	2822.00		NIST
I	2805.00		NIST
I	2822.00		NIST
I	2822.00		NIST
I	2809.00		NIST
I	2822.00		NIST
I	2822.00		NIST
I	2822.00		NIST
I	2822.00		NIST
I	2822.00		NIST
I	2822.00		NIST
I	2822.00		NIST
I	2822.00		NIST
I	2822.00		NIST
I	2822.00		NIST
I	2822.00		NIST
I	2822.00		NIST
I	2803.00		NIST
Tboil	688.65	K	Joback Calculated Property
Tc	775.43 ± 3.00	K	NIST
Tfus	325.58	K	Aq. Sol...
Ttriple	325.68 ± 0.02	K	NIST
Vc	0.900	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[663.64; 746.44]	J/mol×K	[688.65; 855.92]
T(K) Ideal gas heat capacity (J/mol×K) 660 680 700 720 740 700 750 800 850
Cp,gas	663.64	J/mol×K	688.65	Joback Calculated Property
Cp,gas	679.08	J/mol×K	716.53	Joback Calculated Property
Cp,gas	693.84	J/mol×K	744.41	Joback Calculated Property
Cp,gas	707.94	J/mol×K	772.28	Joback Calculated Property
Cp,gas	721.39	J/mol×K	800.16	Joback Calculated Property
Cp,gas	734.21	J/mol×K	828.04	Joback Calculated Property
Cp,gas	746.44	J/mol×K	855.92	Joback Calculated Property
Cp,solid	443.28	J/mol×K	298.15	NIST
η	[0.0000424; 0.0043252]	Pa×s	[369.56; 688.65]
T(K) Dynamic viscosity (Pa×s) 0 1.00e-3 2.00e-3 3.00e-3 4.00e-3 400 500 600
η	0.0043252	Pa×s	369.56	Joback Calculated Property
η	0.0012322	Pa×s	422.74	Joback Calculated Property
η	0.0004648	Pa×s	475.92	Joback Calculated Property
η	0.0002133	Pa×s	529.11	Joback Calculated Property
η	0.0001128	Pa×s	582.29	Joback Calculated Property
η	0.0000664	Pa×s	635.47	Joback Calculated Property
η	0.0000424	Pa×s	688.65	Joback Calculated Property
ΔfusH	[8.12; 46.10]	kJ/mol	[318.70; 325.70]
T(K) Enthalpy of fusion at a given temperature (kJ/mol) 10 20 30 40 320 322 324
ΔfusH	8.12	kJ/mol	318.70	NIST
ΔfusH	46.10	kJ/mol	324.90	NIST
ΔfusH	40.40	kJ/mol	325.50	NIST
ΔfusH	41.52	kJ/mol	325.70	NIST
ΔfusH	41.52	kJ/mol	325.70	NIST
ΔsubH	[144.30; 178.00]	kJ/mol	[284.00; 294.00]
ΔsubH	144.30	kJ/mol	284.00	NIST
ΔsubH	178.00	kJ/mol	294.00	NIST
ΔvapH	[94.00; 116.60]	kJ/mol	[298.00; 522.00]
ΔvapH	116.60	kJ/mol	298.00	Vapor P...
ΔvapH	108.50 ± 2.00	kJ/mol	357.00	NIST
ΔvapH	94.00	kJ/mol	522.00	NIST
ΔfusS	[25.48; 127.49]	J/mol×K	[318.70; 325.70]
ΔfusS	25.48	J/mol×K	318.70	NIST
ΔfusS	127.49	J/mol×K	325.70	NIST

Pressure Dependent Properties

Correlations

Property	Value	Unit	Temperature (K)	Source
Pvap	[1.33; 202.67]	kPa	[471.80; 638.56]	The Yaw...
Equation			ln(Pvp) = A + B/(T + C)
Coefficient A			1.61706e+01
Coefficient B			-5.72495e+03
Coefficient C			-1.11355e+02
Temperature range, min.			471.80
Temperature range, max.			638.56
T(K) Vapor pressure (kPa) 0 50 100 150 200 500 550 600
Pvap	1.33	kPa	471.80	Calculated Property
Pvap	2.90	kPa	490.33	Calculated Property
Pvap	5.86	kPa	508.86	Calculated Property
Pvap	11.13	kPa	527.39	Calculated Property
Pvap	20.02	kPa	545.92	Calculated Property
Pvap	34.30	kPa	564.44	Calculated Property
Pvap	56.36	kPa	582.97	Calculated Property
Pvap	89.17	kPa	601.50	Calculated Property
Pvap	136.46	kPa	620.03	Calculated Property
Pvap	202.67	kPa	638.56	Calculated Property
Pvap	[1.18e-06; 1619.87]	kPa	[325.68; 766.40]	KDB Vap...
Equation			ln(Pvp) = A + B/T + C*ln(T) + D*T^2
Coefficient A			5.78309e+02
Coefficient B			-4.18615e+04
Coefficient C			-8.07117e+01
Coefficient D			3.36498e-05
Temperature range, min.			325.68
Temperature range, max.			766.40
T(K) Vapor pressure (kPa) 0 200 400 600 800 1000 1200 1400 1600 400 500 600 700
Pvap	1.18e-06	kPa	325.68	Calculated Property
Pvap	9.12e-04	kPa	374.65	Calculated Property
Pvap	0.07	kPa	423.62	Calculated Property
Pvap	1.23	kPa	472.59	Calculated Property
Pvap	9.04	kPa	521.56	Calculated Property
Pvap	38.37	kPa	570.52	Calculated Property
Pvap	116.97	kPa	619.49	Calculated Property
Pvap	297.08	kPa	668.46	Calculated Property
Pvap	696.47	kPa	717.43	Calculated Property
Pvap	1619.87	kPa	766.40	Calculated Property

Similar Compounds

Find more compounds similar to Pentadecanoic acid.

Sources

• KDB Vapor Pressure Data
• Crippen Method
• Vapor Pressures and Vaporization, Sublimation, and Fusion Enthalpies of Some Fatty Acids
• Joback Method
• KDB
• Aqueous Solubility Prediction Method
• McGowan Method
• NIST Webbook
• The Yaws Handbook of Vapor Pressure

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