Chemical Properties of 7-aminoheptanoic acid (CAS 929-17-9)

InChI

InChI=1S/C7H15NO2/c8-6-4-2-1-3-5-7(9)10/h1-6,8H2,(H,9,10)

InChI Key

XDOLZJYETYVRKV-UHFFFAOYSA-N

Formula

C7H15NO2

SMILES

NCCCCCCC(=O)O

Molecular Weight¹

145.20

CAS

929-17-9

• Δ_cH°_solid : Standard solid enthalpy of combustion (kJ/mol).
• C_p,gas : Ideal gas 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_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).
• 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	[-4608.70; -4230.90]	kJ/mol
ΔcH°solid	-4608.70	kJ/mol	NIST
ΔcH°solid	-4230.90 ± 1.30	kJ/mol	NIST
ΔfG°	-269.40	kJ/mol	Joback Calculated Property
ΔfH°gas	-513.49	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	29.23	kJ/mol	Joback Calculated Property
ΔvapH°	88.62	kJ/mol	Relay (1.0) Calculated Property
IE	8.94	eV	Relay (1.0) Calculated Property
log10WS	-0.82		Relay (1.0) Calculated Property
logPoct/wat	0.980		Crippen Calculated Property
McVol	126.910	ml/mol	McGowan Calculated Property
Pc	3287.81	kPa	Joback Calculated Property
Tboil	547.21	K	Relay (1.0) Calculated Property
Tc	742.93	K	Relay (1.0) Calculated Property
Tfus	440.48	K	Relay (1.0) Calculated Property
Vc	0.468	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.

Correlations

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[187.97; 427.22]	J/mol×K	[273.00; 1000.00]	Joback Predicted correlation
Equation			Y = A + B·T + C·T² + D·T³ + E·T⁴ Y is Cp,gas in J/mol×K, T in K
Coefficient A			7.61600e+00
Coefficient B			7.81500e-01
Coefficient C			-4.73000e-04
Coefficient D			1.11100e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	187.97	J/mol×K	273.00	Calculated Property
Cp,gas	229.81	J/mol×K	353.78	Calculated Property
Cp,gas	267.02	J/mol×K	434.56	Calculated Property
Cp,gas	299.94	J/mol×K	515.33	Calculated Property
Cp,gas	328.93	J/mol×K	596.11	Calculated Property
Cp,gas	354.34	J/mol×K	676.89	Calculated Property
Cp,gas	376.53	J/mol×K	757.67	Calculated Property
Cp,gas	395.83	J/mol×K	838.44	Calculated Property
Cp,gas	412.61	J/mol×K	919.22	Calculated Property
Cp,gas	427.22	J/mol×K	1000.00	Calculated Property

Similar Compounds

Find more compounds similar to 7-aminoheptanoic acid.

Mixtures

• Water + 7-aminoheptanoic acid

Sources

• Cheméo Relay (1.0)
• Crippen Method
• Crippen Method
• Binary Diffusion Coefficients of Aqueous Straight-Chain Amino Acids at Infinitesimal Concentration and Temperatures from (298.2 to 333.2) K
• Joback Method
• McGowan Method
• NIST Webbook

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