Chemical Properties of HEXANOIC ACID, 6-AMINO-

InChI

InChI=1S/C6H13NO2/c7-5-3-1-2-4-6(8)9/h1-5,7H2,(H,8,9)

InChI Key

SLXKOJJOQWFEFD-UHFFFAOYSA-N

Formula

C6H13NO2

SMILES

NCCCCCC(=O)O

Molecular Weight¹

131.17

Other Names

• 177 J.D.
• 6-Amino-n-hexanoic acid
• 6-Aminocaproic acid
• 6-Aminohexanoic acid
• ACS
• Acepramin
• Acepramine
• Afibrin
• Amicar
• Amikar
• Aminokapron
• Atsemin
• CL 10304
• CY 116
• Caplamin
• Capracid
• Capramol
• Capranol
• Caprocid
• Caprolisin
• EACA
• EACS
• Epsamon
• Epsicapron
• Epsikapron
• Epsilcapramin
• Hemocaprol
• Hemopar
• Hepin
• Ipsilon
• NSC-26154
• Respramin
• «epsilon»-Amino-n-caproic acid
• «epsilon»-Amino-n-hexanoic acid
• «epsilon»-Aminocaproic acid
• «epsilon»-Aminohexanoic acid
• «epsilon»-Norleucine
• «omega»-Aminocaproic acid
• «omega»-Aminohexanoic acid

• Δ_cH°_solid : Standard solid 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).
• Δ_fG° : Standard Gibbs free energy of formation (kJ/mol).
• Δ_fH°_gas : Enthalpy of formation at standard conditions (kJ/mol).
• Δ_fH°_solid : Solid phase enthalpy of formation at standard conditions (kJ/mol).
• Δ_fusH° : Enthalpy of fusion at standard conditions (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).
• 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).
• 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
ΔcH°solid	[-3581.61; -3579.80]	kJ/mol
ΔcH°solid	-3581.61 ± 0.25	kJ/mol	NIST
ΔcH°solid	-3579.80 ± 1.30	kJ/mol	NIST
ΔfG°	-199.65	kJ/mol	Joback Calculated Property
ΔfH°gas	-482.40 ± 3.00	kJ/mol	NIST
ΔfH°solid	-637.35 ± 0.48	kJ/mol	NIST
ΔfusH°	22.18	kJ/mol	Joback Calculated Property
ΔsubH°	[155.00; 155.00]	kJ/mol
ΔsubH°	155.00 ± 3.00	kJ/mol	NIST
ΔsubH°	155.00 ± 3.00	kJ/mol	NIST
ΔvapH°	84.21	kJ/mol	Relay (1.0) Calculated Property
IE	8.97	eV	Relay (1.0) Calculated Property
log10WS	-0.97		Aq. Solubility Prediction
logPoct/wat	0.590		Crippen Calculated Property
McVol	112.820	ml/mol	McGowan Calculated Property
Pc	3995.65	kPa	Joback Calculated Property
Tboil	534.25	K	Relay (1.0) Calculated Property
Tc	724.10	K	Relay (1.0) Calculated Property
Tfus	479.65	K	Aq. Solubility Prediction
Vc	0.404	m3/kmol	Relay (1.0) Calculated Property

Cheméo can also estimate Acentric Factor for this compound, but it falls outside the models' validated range, so it is not shown here. Open the prediction tool to compute it on demand.

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[274.92; 324.00]	J/mol×K	[555.26; 736.90]
Cp,gas	274.92	J/mol×K	555.26	Joback Calculated Property
Cp,gas	284.12	J/mol×K	585.53	Joback Calculated Property
Cp,gas	292.90	J/mol×K	615.81	Joback Calculated Property
Cp,gas	301.26	J/mol×K	646.08	Joback Calculated Property
Cp,gas	309.22	J/mol×K	676.36	Joback Calculated Property
Cp,gas	316.80	J/mol×K	706.63	Joback Calculated Property
Cp,gas	324.00	J/mol×K	736.90	Joback Calculated Property
Cp,solid	175.60	J/mol×K	298.00	NIST
ΔsubH	153.30 ± 0.80	kJ/mol	397.50	NIST

Similar Compounds

Find more compounds similar to HEXANOIC ACID, 6-AMINO-.

Sources

• Cheméo Relay (1.0)
• Crippen Method
• Joback Method
• Aqueous Solubility Prediction Method
• McGowan Method
• NIST Webbook

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.