Chemical Properties of Undecanoic acid (CAS 112-37-8)

InChI

InChI=1S/C11H22O2/c1-2-3-4-5-6-7-8-9-10-11(12)13/h2-10H2,1H3,(H,12,13)

InChI Key

ZDPHROOEEOARMN-UHFFFAOYSA-N

Formula

C11H22O2

SMILES

CCCCCCCCCCC(=O)O

Molecular Weight¹

186.29

CAS

112-37-8

Other Names

• 1-Decanecarboxylic acid
• Hendecanoic acid
• Undecylic acid
• n-Undecanoic acid
• n-Undecoic acid
• n-Undecylic acid
• undedecanoic acid

• ω : Acentric Factor.
• 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_vapH° : Enthalpy of vaporization at standard conditions (kJ/mol).
• Δ_vapH : Enthalpy of vaporization at a given temperature (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.
• 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
ω	0.8645		Relay (1.0) Calculated Property
ΔcH°liquid	-6736.50 ± 0.90	kJ/mol	NIST
ΔfG°	-224.00	kJ/mol	Joback Calculated Property
ΔfH°gas	-631.34	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	29.93	kJ/mol	Joback Calculated Property
ΔsubH°	[121.00; 121.30]	kJ/mol
ΔsubH°	121.00 ± 1.00	kJ/mol	NIST
ΔsubH°	121.30 ± 1.30	kJ/mol	NIST
ΔvapH°	93.43	kJ/mol	Relay (1.0) Calculated Property
IE	9.95	eV	Relay (1.0) Calculated Property
log10WS	-3.55		Aq. Solubility Prediction
logPoct/wat	3.602		Crippen Calculated Property
McVol	173.290	ml/mol	McGowan Calculated Property
Pc	2004.04 ± 90.00	kPa	NIST
Inp	[248.00; 1493.00]
Inp	1488.00		NIST
Inp	1466.80		NIST
Inp	1490.00		NIST
Inp	1468.00		NIST
Inp	1490.00		NIST
Inp	1460.00		NIST
Inp	1465.00		NIST
Inp	1465.00		NIST
Inp	1490.00		NIST
Inp	1482.00		NIST
Inp	1493.00		NIST
Inp	1469.00		NIST
Inp	1474.00		NIST
Inp	1445.00		NIST
Inp	Outlier 249.52		NIST
Inp	Outlier 248.00		NIST
Inp	1465.00		NIST
Inp	1474.00		NIST
Inp	1488.00		NIST
I	[2359.00; 2421.00]
I	2398.00		NIST
I	2421.00		NIST
I	2419.00		NIST
I	2407.00		NIST
I	2405.00		NIST
I	2417.00		NIST
I	2400.00		NIST
I	2369.00		NIST
I	2379.00		NIST
I	2365.00		NIST
I	2371.00		NIST
I	Outlier 2359.00		NIST
I	2394.00		NIST
I	2394.00		NIST
I	2417.00		NIST
I	2419.00		NIST
I	2373.00		NIST
I	2400.00		NIST
I	2407.00		NIST
I	2413.00		NIST
I	2400.00		NIST
I	2400.00		NIST
I	2400.00		NIST
I	2401.00		NIST
I	2400.00		NIST
Tboil	[438.15; 553.15]	K
Tboil	438.15	K	NIST
Tboil	553.15 ± 5.00	K	NIST
Tc	731.26 ± 3.00	K	NIST
Tfus	[301.20; 302.00]	K
Tfus	301.58	K	Aq. Solubility Prediction
Tfus	301.65 ± 0.40	K	NIST
Tfus	301.90 ± 0.05	K	NIST
Tfus	302.00 ± 1.50	K	NIST
Tfus	301.40 ± 0.20	K	NIST
Tfus	301.20 ± 3.00	K	NIST
Ttriple	[301.63; 301.63]	K
Ttriple	301.63	K	KDB
Ttriple	301.63 ± 0.02	K	NIST
Vc	0.665	m3/kmol	Relay (1.0) Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[452.00; 522.72]	J/mol×K	[597.13; 763.46]
Cp,gas	452.00	J/mol×K	597.13	Joback Calculated Property
Cp,gas	465.12	J/mol×K	624.85	Joback Calculated Property
Cp,gas	477.69	J/mol×K	652.57	Joback Calculated Property
Cp,gas	489.71	J/mol×K	680.30	Joback Calculated Property
Cp,gas	501.22	J/mol×K	708.02	Joback Calculated Property
Cp,gas	512.21	J/mol×K	735.74	Joback Calculated Property
Cp,gas	522.72	J/mol×K	763.46	Joback Calculated Property
Cp,solid	[415.10; 768.80]	J/mol×K	[293.00; 298.15]
Cp,solid	415.10	J/mol×K	293.00	NIST
Cp,solid	768.80	J/mol×K	298.15	NIST
η	[0.0000874; 0.0092362]	Pa×s	[324.48; 597.13]
η	0.0092362	Pa×s	324.48	Joback Calculated Property
η	0.0026360	Pa×s	369.92	Joback Calculated Property
η	0.0009898	Pa×s	415.36	Joback Calculated Property
η	0.0004509	Pa×s	460.81	Joback Calculated Property
η	0.0002365	Pa×s	506.25	Joback Calculated Property
η	0.0001380	Pa×s	551.69	Joback Calculated Property
η	0.0000874	Pa×s	597.13	Joback Calculated Property
ΔfusH	[8.13; 25.98]	kJ/mol	[290.00; 301.60]
ΔfusH	8.13	kJ/mol	290.00	NIST
ΔfusH	25.98	kJ/mol	301.60	NIST
ΔfusH	25.98	kJ/mol	301.60	NIST
ΔvapH	[81.30; 97.90]	kJ/mol	[305.50; 475.00]
ΔvapH	97.90 ± 6.30	kJ/mol	305.50	NIST
ΔvapH	90.70 ± 2.00	kJ/mol	321.00	NIST
ΔvapH	81.30	kJ/mol	475.00	NIST
ΔfusS	[28.03; 86.15]	J/mol×K	[290.00; 301.60]
ΔfusS	28.03	J/mol×K	290.00	NIST
ΔfusS	86.15	J/mol×K	301.60	NIST

Pressure Dependent Properties

Property	Value	Unit	Pressure (kPa)	Source
Tboilr	[437.20; 501.20]	K	[2.00; 21.30]
Tboilr	437.20	K	2.00	NIST
Tboilr	501.20	K	21.30	NIST

Correlations

Property	Value	Unit	Temperature (K)	Source
Pvap	[1.33; 202.66]	kPa	[427.72; 587.87]	The Yaws Handbook of Vapor Pressure
Equation			ln(Pvp) = A + B/(T + C)
Coefficient A			1.57164e+01
Coefficient B			-5.11747e+03
Coefficient C			-9.60380e+01
Temperature range, min.			427.72
Temperature range, max.			587.87
Pvap	1.33	kPa	427.72	Calculated Property
Pvap	2.92	kPa	445.51	Calculated Property
Pvap	5.95	kPa	463.31	Calculated Property
Pvap	11.32	kPa	481.10	Calculated Property
Pvap	20.36	kPa	498.90	Calculated Property
Pvap	34.85	kPa	516.69	Calculated Property
Pvap	57.09	kPa	534.49	Calculated Property
Pvap	90.01	kPa	552.28	Calculated Property
Pvap	137.13	kPa	570.08	Calculated Property
Pvap	202.66	kPa	587.87	Calculated Property
Pvap	[0.13; 102.29]	kPa	[393.15; 557.15]	KDB Vapor Pressure Data
Equation			ln(Pvp) = A + B/T + C*ln(T) + D*T^2
Coefficient A			2.52629e+02
Coefficient B			-2.14898e+04
Coefficient C			-3.38776e+01
Coefficient D			1.53739e-05
Temperature range, min.			393.15
Temperature range, max.			557.15
Pvap	0.13	kPa	393.15	Calculated Property
Pvap	0.39	kPa	411.37	Calculated Property
Pvap	1.05	kPa	429.59	Calculated Property
Pvap	2.51	kPa	447.82	Calculated Property
Pvap	5.49	kPa	466.04	Calculated Property
Pvap	11.08	kPa	484.26	Calculated Property
Pvap	20.90	kPa	502.48	Calculated Property
Pvap	37.19	kPa	520.71	Calculated Property
Pvap	63.00	kPa	538.93	Calculated Property
Pvap	102.29	kPa	557.15	Calculated Property

Similar Compounds

Find more compounds similar to Undecanoic acid.

Mixtures

• Propane + Undecanoic acid

Sources

• KDB Vapor Pressure Data
• Cheméo Relay (1.0)
• Crippen Method
• Phase Equilibria of Long-Chain Carboxylic Acids in Supercritical Propane
• Joback Method
• KDB
• Aqueous Solubility Prediction Method
• McGowan Method
• NIST Webbook
• The Yaws Handbook of Vapor Pressure

Note: Cheméo is only indexing the data, follow the source links to retrieve the latest data. The source is also providing more information like the publication year, authors and more. Take the time to validate and double check the source of the data.
Outlier This icon means that the value is more than 2 standard deviations away from the property mean.