Phenacetin (CAS 62-44-2)

InChI

InChI=1S/C10H13NO2/c1-3-13-10-6-4-9(5-7-10)11-8(2)12/h4-7H,3H2,1-2H3,(H,11,12)

InChI Key

CPJSUEIXXCENMM-UHFFFAOYSA-N

Formula

C10H13NO2

SMILES

CCOc1ccc(N=C(C)O)cc1

Molecular Weight¹

179.22

CAS

62-44-2

Other Names

Acetamide, N-(4-ethoxyphenyl)-
p-Acetophenetidide
p-Ethoxyacetanilide
Acetophenetidin
Acetophenetidine
Acetophenetin
Fenidina
Fenina
Kalmin
N-Acetyl-p-phenetidine
Pertonal
Phenacetine
Phenazetin
Phenedina
Phenidin
Phenin
4-Ethoxyacetanilide
4'-Ethoxyacetanilide
Phenacitin
p-Acetophenetide
p-Acetophenetidine
p-Acetphenetidin
p-Phenetidine, N-acetyl-
Acet-p-phenalide
Acet-p-phenetidin
Acetanilide, 4'-ethoxy-
Aceto-4-phenetidine
N-(4-Ethoxyphenyl)acetamide
Phenacet
Pyraphen
1-Acetamido-4-ethoxybenzene
Aceto-para-phenalide
Aceto-para-phenetidide
para-Acetophenetidide
Acetphenetidin
Acetylphenetidin
Achrocidin
Anapac
APC
ASA COMPOUND
Bromo seltzer
Buff-A-comp
Citra-fort
Clistanol
Codempiral
Commotional
Contradol
Contradouleur
Coricidin
Coriforte
Coryban-D
Daprisal
Darvon compound
Dasikon
Dasin
Dasin CH
Dolostop
Dolviran
Edrisal
Empiral
Empirin compound
Emprazil
Emprazil-C
Epragen
p-Ethoxyanilid kyseliny octove
N-para-Ethoxyphenylacetamide
Fenacetin
Fenacetina
Fenia
Fiorinal
Fortacyl
Gelonida
Gewodin
Helvagit
Hjorton'S powder
Hocophen
KAFA
Malex
Melabon
Melaforte
Norgesic
Pamprin
Paracetophenetidin
Paramette
Paratodol
para-Phenacetin
Phenacetinum
Phenacon
Phenaphen
Phenaphen plus
Phenazetina
Phenodyne
Pyrroxate
Quadronal
RCRA Waste number U187
Robaxisal-PH
Salgydal
Sanalgine
Saridon
Seranex
Sinedal
Sinubid
Sinutab
Stellacyl
Super anahist
Synalgos-DC
Synalogos
Tacol
Terracydin
Tetracydin
Thephorin A-C
Treupel
Veganine
Viden
Wigraine
Xaril
Zactirin compound
p-Acetophenetitide
Para-acetphenetidin
Acetanilide, p-ethoxy-
4-Ethoxy-acetanilid
4-(Acetylamino)phenetole
N-Acetyl-4-ethoxyaniline
N-Acetyl-p-ethoxyaniline

ω : Acentric Factor.
Δ_cH°_solid : Standard solid enthalpy of combustion (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 a given temperature (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).
Δ_vapH : Enthalpy of vaporization at a given temperature (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).
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).
¹: Molecular weight from the IUPAC atomic weights tables.

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Physical Properties

Property	Value	Unit	Source
ω	0.7256		Relay (1.0) Calculated Property
Δ_cH°_solid	-5452.00	kJ/mol	NIST
Δ_fH°_gas	-285.00	kJ/mol	Relay (1.0) Calculated Property
Δ_fH°_solid	-341.00	kJ/mol	NIST
Δ_subH°	[115.00; 120.00]	kJ/mol
Δ_subH°	120.00 ± 3.00	kJ/mol	NIST
Δ_subH°	115.00	kJ/mol	NIST
Δ_vapH°	95.18	kJ/mol	Relay (1.0) Calculated Property
IE	7.69	eV	Relay (1.0) Calculated Property
log₁₀WS	-2.38		Relay (1.0) Calculated Property
logP_oct/wat	2.693		Crippen Calculated Property
McVol	145.420	ml/mol	McGowan Calculated Property
P_c	2808.38	kPa	Joback Calculated Property
I_np	[285.77; 1720.00]
I_np	1685.00		NIST
I_np	1662.00		NIST
I_np	1651.00		NIST
I_np	1660.00		NIST
I_np	1666.00		NIST
I_np	1695.00		NIST
I_np	1699.00		NIST
I_np	1680.00		NIST
I_np	1670.00		NIST
I_np	1681.00		NIST
I_np	1685.00		NIST
I_np	1690.00		NIST
I_np	1666.00		NIST
I_np	1681.00		NIST
I_np	1720.00		NIST
I_np	1700.00		NIST
I_np	1675.00		NIST
I_np	1685.00		NIST
I_np	1660.00		NIST
I_np	1685.00		NIST
I_np	1660.00		NIST
I_np	1651.00		NIST
I_np	1662.00		NIST
I_np	1681.00		NIST
I_np	1660.00		NIST
I_np	1705.00		NIST
I_np	1651.00		NIST
I_np	1660.00		NIST
I_np	1699.00		NIST
I_np	1675.00		NIST
I_np	1668.00		NIST
I_np	1660.00		NIST
I_np	Outlier 285.77		NIST
I_np	Outlier 288.72		NIST
I_np	Outlier 285.77		NIST
I_np	1705.00		NIST
I_np	1660.00		NIST
I_np	1670.00		NIST
I_np	1681.00		NIST
I_np	1700.00		NIST
T_boil	595.21	K	Relay (1.0) Calculated Property
T_c	768.90	K	Relay (1.0) Calculated Property
T_fus	[407.20; 410.00]	K
T_fus	407.20 ± 0.50	K	NIST
T_fus	410.00 ± 0.60	K	NIST
T_fus	410.00 ± 1.00	K	NIST

Cheméo can also estimate Critical Volume, Standard Gibbs free energy of formation for this compound, but they fall outside the models' validated range, so they are not shown here. Open the prediction tool to compute them on demand.

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Δ_fusH	[21.40; 34.10]	kJ/mol	[407.20; 410.20]

Δ_fusH	31.25	kJ/mol	407.20	NIST
Δ_fusH	34.10	kJ/mol	407.40	NIST
Δ_fusH	28.75	kJ/mol	408.30	NIST
Δ_fusH	30.00	kJ/mol	409.60	NIST
Δ_fusH	21.40	kJ/mol	410.20	NIST
Δ_subH	115.50 ± 2.40	kJ/mol	349.50	NIST
Δ_vapH	[79.00; 82.60]	kJ/mol	[459.00; 498.00]
Δ_vapH	79.00 ± 1.00	kJ/mol	459.00	NIST
Δ_vapH	82.00 ± 1.00	kJ/mol	476.00	NIST
Δ_vapH	82.60	kJ/mol	498.00	NIST

Similar Compounds

N'-(4-ethoxy-phenyl)-N,N-dimethyl-acetamidine.

N'-(4-ethoxy-phenyl)-N,N-dimethyl-formamidine.

N''-(4-ethoxy-phenyl)-N,N,N',N'-tetramethyl -guanidine.

N,N-Dimethyl-N'-(4-ethoxyphenyl)-propionamidine.

N,N-Dimethyl-N'-(4-ethoxyphenyl)-pivalamidine.

Benzenamine, N,N'-1,2-ethanediylidenebis[4-methoxy-.

p-methylbenzylidene-(4-ethoxyphenyl)-amine.

N'-(3-ethoxy-phenyl)-N,N-dimethyl-acetamidine.

Find more compounds similar to Phenacetin.

Sources

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Chemical Properties of Phenacetin (CAS 62-44-2)

Physical Properties

Temperature Dependent Properties

Similar Compounds

Sources