Chemical Properties of Baclofen (CAS 1134-47-0)

InChI

InChI=1S/C10H12ClNO2/c11-9-3-1-7(2-4-9)8(6-12)5-10(13)14/h1-4,8H,5-6,12H2,(H,13,14)

InChI Key

KPYSYYIEGFHWSV-UHFFFAOYSA-N

Formula

SMILES

NCC(CC(=O)O)c1ccc(Cl)cc1

Molecular Weight¹

213.66

CAS

1134-47-0

Other Names

(.+/-.)-Baclofen
(.+/-.)-Baklofen
4-Amino-3-(4-chlorophenyl)butyric acid
4-Amino-3-(p-chlorophenyl)butyric acid
Ba 34647
Baclon
Benzenepropanoic acid, «beta»-(aminomethyl)-4-chloro-
Benzenepropanoic acid, Â«betaÂ»-(aminomethyl)-4-chloro-
Butanoic acid, 4-amino-3-(4-chlorophenyl)-
C 34647Ba
CIBA 34,647-Ba
DL-4-Amino-3-p-chlorophenylbutanoic acid
DL-Baclofen
Hydrocinnamic acid, «beta»-(aminomethyl)-p-chloro-
Hydrocinnamic acid, Â«betaÂ»-(aminomethyl)-p-chloro-
Lioresal
«beta»-(4-Chlorophenyl)gaba
«beta»-(Aminomethyl)-4-chlorobenzenepropanoic acid
«beta»-(Aminomethyl)-p-chlorohydrocinnamic acid
«beta»-(p-Chlorophenyl)-«gamma»-aminobutyric acid
«gamma»-Amino-«beta»-(p-chlorophenyl)butyric acid
Â«betaÂ»-(4-Chlorophenyl)gaba
Â«betaÂ»-(Aminomethyl)-4-chlorobenzenepropanoic acid
Â«betaÂ»-(Aminomethyl)-p-chlorohydrocinnamic acid
Â«betaÂ»-(p-Chlorophenyl)-Â«gammaÂ»-aminobutyric acid
Â«gammaÂ»-Amino-Â«betaÂ»-(p-chlorophenyl)butyric acid

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).
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).
I_np : Non-polar retention indices.
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.

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Physical Properties

Property	Value	Unit	Source
Δ_fG°	-77.56	kJ/mol	Joback Calculated Property
Δ_fH°_gas	-276.71	kJ/mol	Joback Calculated Property
Δ_fusH°	26.87	kJ/mol	Joback Calculated Property
Δ_vapH°	78.86	kJ/mol	Joback Calculated Property
log₁₀WS	[-1.78; -1.70]
log₁₀WS	-1.78		Aq. Sol...
log₁₀WS	-1.70		Rytting...
logP_oct/wat	1.857		Crippen Calculated Property
McVol	157.660	ml/mol	McGowan Calculated Property
P_c	3547.31	kPa	Joback Calculated Property
I_np	[2018.10; 2018.10]
I_np	2018.10		NIST
I_np	2018.10		NIST
T_boil	715.43	K	Joback Calculated Property
T_c	931.06	K	Joback Calculated Property
T_fus	480.48	K	Aq. Sol...
V_c	0.585	m³/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
C_p,gas	[404.48; 454.51]	J/mol×K	[715.43; 931.06]

C_p,gas	404.48	J/mol×K	715.43	Joback Calculated Property
C_p,gas	414.47	J/mol×K	751.37	Joback Calculated Property
C_p,gas	423.74	J/mol×K	787.31	Joback Calculated Property
C_p,gas	432.35	J/mol×K	823.24	Joback Calculated Property
C_p,gas	440.32	J/mol×K	859.18	Joback Calculated Property
C_p,gas	447.70	J/mol×K	895.12	Joback Calculated Property
C_p,gas	454.51	J/mol×K	931.06	Joback Calculated Property

Similar Compounds

Find more compounds similar to Baclofen.

Sources

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