Chemical Properties of Phenylephrine (CAS 59-42-7)

InChI

InChI=1S/C9H13NO2/c1-10-6-9(12)7-3-2-4-8(11)5-7/h2-5,9-12H,6H2,1H3/t9-/m1/s1

InChI Key

SONNWYBIRXJNDC-SECBINFHSA-N

Formula

SMILES

CNCC(O)c1cccc(O)c1

Molecular Weight¹

167.21

CAS

59-42-7

Other Names

(-)-Phenylephrine
(-)-m-Hydroxy-«alpha»-(methylaminomethyl)benzyl alcohol
(-)-m-Hydroxy-Â«alphaÂ»-(methylaminomethyl)benzyl alcohol
(-)-m-Oxedrine
(R)-3-Hydroxy-«alpha»-[(methylamino)methyl]benzenemethanol
(R)-3-Hydroxy-Â«alphaÂ»-[(methylamino)methyl]benzenemethanol
3-[1-Hydroxy-2-(methylamino)ethyl]phenol, (R)-
Benzenemethanol, 3-hydroxy-a-[(methylamino)methyl]-, («alpha»R)-
Benzenemethanol, 3-hydroxy-a-[(methylamino)methyl]-, (Â«alphaÂ»R)-
Benzenemethanol, 3-hydroxy-«alpha»-[(methylamino)methyl]-, (R)-
Benzenemethanol, 3-hydroxy-Â«alphaÂ»-[(methylamino)methyl]-, (R)-
Benzyl alcohol, m-hydroxy-«alpha»-((methylamino)methyl)-, (-)-
Benzyl alcohol, m-hydroxy-Â«alphaÂ»-((methylamino)methyl)-, (-)-
Isophrin
Mesaton
Mesatone
Metaoxedrin
Metaoxedrine
Metasympatol
Metasynephrine
Mezaton
Neosynephrine
R(-)-Mezaton
R(-)-Phenylephrine
Visadron
l-(3-Hydroxyphenyl)-N-methylethanolamine
l-1-(m-Hydroxyphenyl)-2-methylaminoethanol
l-m-Hydroxy-«alpha»-((methylamino)methyl)benzyl alcohol
l-m-Hydroxy-Â«alphaÂ»-((methylamino)methyl)benzyl alcohol
l-«alpha»-Hydroxy-«beta»-methylamino-3-hydroxy-l-ethylbenzene
l-Â«alphaÂ»-Hydroxy-Â«betaÂ»-methylamino-3-hydroxy-l-ethylbenzene
m-Methylaminoethanolphenol
m-Oxedrine
m-Sympathol
m-Sympatol
m-Synephrine

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.

Cheméo is a service of Céondo GmbH, since 2007, we provide simulation, modelling and software development services for the industry. Do not hesitate to contact us for your projects.

Please note that you need to enable javascript to get access to all the properties. Here is how to do it for Internet Explorer and for Firefox.

Physical Properties

Property	Value	Unit	Source
Δ_fG°	-67.18	kJ/mol	Joback Calculated Property
Δ_fH°_gas	-273.91	kJ/mol	Joback Calculated Property
Δ_fusH°	24.55	kJ/mol	Joback Calculated Property
Δ_vapH°	73.65	kJ/mol	Joback Calculated Property
log₁₀WS	0.58		Aq. Sol...
logP_oct/wat	0.645		Crippen Calculated Property
McVol	135.630	ml/mol	McGowan Calculated Property
P_c	4510.35	kPa	Joback Calculated Property
I_np	[1660.00; 1660.00]
I_np	1660.00		NIST
I_np	1660.00		NIST
T_boil	654.53	K	Joback Calculated Property
T_c	864.38	K	Joback Calculated Property
T_fus	415.65	K	Aq. Sol...
V_c	0.446	m³/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
C_p,gas	[360.90; 415.28]	J/mol×K	[654.53; 864.38]

C_p,gas	360.90	J/mol×K	654.53	Joback Calculated Property
C_p,gas	371.37	J/mol×K	689.51	Joback Calculated Property
C_p,gas	381.18	J/mol×K	724.48	Joback Calculated Property
C_p,gas	390.40	J/mol×K	759.46	Joback Calculated Property
C_p,gas	399.12	J/mol×K	794.43	Joback Calculated Property
C_p,gas	407.38	J/mol×K	829.41	Joback Calculated Property
C_p,gas	415.28	J/mol×K	864.38	Joback Calculated Property

Similar Compounds

Find more compounds similar to Phenylephrine.

Sources

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.