Chemical Properties of Aspartic acid (CAS 56-84-8)

InChI

InChI=1S/C4H7NO4/c5-2(4(8)9)1-3(6)7/h2H,1,5H2,(H,6,7)(H,8,9)/t2-/m1/s1

InChI Key

CKLJMWTZIZZHCS-UWTATZPHSA-N

Formula

C4H7NO4

SMILES

NC(CC(=O)O)C(=O)O

Molecular Weight¹

133.10

CAS

56-84-8

Other Names

• (2S)-Aspartic acid
• (S)-Aminobutanedioic acid
• (S)-Aspartic acid
• Aminosuccinic acid
• Asparagic acid
• Asparaginic acid
• Aspartic acid, L-
• Aspatofort
• Butanedioic acid, amino-, (S)-
• H-Asp-OH
• L-(+)-Aspartic acid
• L-2-Aminobutanedioic acid
• L-Aminosuccinic acid
• L-Asparagic acid
• L-Asparaginic acid
• L-Aspartic acid
• NSC 3973
• «alpha»-Aminosuccinic acid, (L)-
• «alpha»-Aminosuccinic acid, (L)-

• PAff : Proton affinity (kJ/mol).
• BasG : Gas basicity (kJ/mol).
• 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_vapH° : Enthalpy of vaporization at standard conditions (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).
• S°_{solid,1 bar} : Solid phase molar entropy at standard conditions (J/mol×K).
• 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
PAff	908.90	kJ/mol	NIST
BasG	875.00	kJ/mol	NIST
ΔcH°solid	[-1617.80; -1601.10]	kJ/mol
ΔcH°solid	-1601.10 ± 0.79	kJ/mol	NIST
ΔcH°solid	-1604.40	kJ/mol	NIST
ΔcH°solid	-1617.80	kJ/mol	NIST
ΔcH°solid	-1615.60	kJ/mol	NIST
ΔfG°	-484.67	kJ/mol	Joback Calculated Property
ΔfH°gas	-627.00	kJ/mol	Joback Calculated Property
ΔfH°solid	-973.32 ± 0.84	kJ/mol	NIST
ΔfusH°	19.16	kJ/mol	Joback Calculated Property
ΔvapH°	81.60	kJ/mol	Joback Calculated Property
log10WS	-1.31		Aq. Sol...
logPoct/wat	-1.127		Crippen Calculated Property
McVol	92.080	ml/mol	McGowan Calculated Property
Pc	6642.18	kPa	Joback Calculated Property
S°solid,1 bar	[170.12; 173.60]	J/mol×K
S°solid,1 bar	170.12	J/mol×K	NIST
S°solid,1 bar	173.60	J/mol×K	NIST
Tboil	655.11	K	Joback Calculated Property
Tc	842.78	K	Joback Calculated Property
Tfus	546.48	K	Aq. Sol...
Vc	0.333	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[233.47; 261.69]	J/mol×K	[655.11; 842.78]
Cp,gas	233.47	J/mol×K	655.11	Joback Calculated Property
Cp,gas	238.94	J/mol×K	686.39	Joback Calculated Property
Cp,gas	244.10	J/mol×K	717.67	Joback Calculated Property
Cp,gas	248.94	J/mol×K	748.94	Joback Calculated Property
Cp,gas	253.48	J/mol×K	780.22	Joback Calculated Property
Cp,gas	257.73	J/mol×K	811.50	Joback Calculated Property
Cp,gas	261.69	J/mol×K	842.78	Joback Calculated Property
Cp,solid	[152.70; 155.18]	J/mol×K	[293.90; 298.15]
Cp,solid	152.70	J/mol×K	293.90	NIST
Cp,solid	155.18	J/mol×K	298.15	NIST

Similar Compounds

Find more compounds similar to Aspartic acid.

Sources

• Crippen Method
• Joback Method
• Aqueous Solubility Prediction Method
• McGowan Method
• NIST Webbook

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