Chemical Properties of Propoxyphene (CAS 469-62-5)

InChI

InChI=1S/C22H29NO2/c1-5-21(24)25-22(18(2)17-23(3)4,20-14-10-7-11-15-20)16-19-12-8-6-9-13-19/h6-15,18H,5,16-17H2,1-4H3/t18-,22+/m0/s1

InChI Key

XLMALTXPSGQGBX-PGRDOPGGSA-N

Formula

C22H29NO2

SMILES

CCC(=O)OC(Cc1ccccc1)(c1ccccc1)C(C)CN(C)C

Molecular Weight¹

339.47

CAS

469-62-5

Other Names

• Benzeneethanol, «alpha»-[2-(dimethylamino)-1-methylethyl]-«alpha»-phenyl-, propanoate (ester), [S-(R*,S*)]-
• 2-Butanol, 4-(dimethylamino)-3-methyl-1,2-diphenyl-, propionate (ester), (2S,3R)-
• D-propoxyphene
• Algafan
• Antalvic
• Depromic
• Dextropropoxyphene
• Benzeneethanol, «alpha»-[2-(dimethylamino)-1-methylethyl]-«alpha»-phenyl-, propanoate, [S-(R*,S*)]-
• 2-Butanol, 4-(dimethylamino)-3-methyl-1,2-diphenyl-, propionate, (+)-
• Dextroproxifeno
• «alpha»-(+)-4-Dimethylamino-1,2-diphenyl-3-methyl-2-butanol propionate ester
• Propoxyphene, (+)-
• Proxagesic
• SK 65
• (+)-4-(Dimethylamino)-3-methyl-1,2-diphenyl-2-butanol propionate
• (2S,3R)-(+)-4-(Dimethylamino)-3-methyl-1,2-diphenyl-2-butanol propionate(ester)
• «alpha»-d-Propoxyphene
• Dextropropoxyphen
• Femadol
• Darvon

• ω : Acentric Factor.
• 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).
• 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.

Physical Properties

Property	Value	Unit	Source
ω	0.6965		Relay (1.0) Calculated Property
ΔfG°	236.44	kJ/mol	Joback Calculated Property
ΔfH°gas	-250.92	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	35.69	kJ/mol	Joback Calculated Property
ΔvapH°	103.01	kJ/mol	Relay (1.0) Calculated Property
IE	7.58	eV	Relay (1.0) Calculated Property
log10WS	-3.49		Relay (1.0) Calculated Property
logPoct/wat	4.276		Crippen Calculated Property
McVol	290.740	ml/mol	McGowan Calculated Property
Pc	1482.71	kPa	Joback Calculated Property
Inp	[2165.00; 2229.00]
Inp	2180.00		NIST
Inp	2183.00		NIST
Inp	2186.00		NIST
Inp	2203.00		NIST
Inp	Outlier 2229.00		NIST
Inp	2180.00		NIST
Inp	2210.00		NIST
Inp	2180.00		NIST
Inp	2192.00		NIST
Inp	2178.00		NIST
Inp	2181.00		NIST
Inp	2178.00		NIST
Inp	2165.00		NIST
Inp	2190.00		NIST
Inp	2181.00		NIST
Inp	2188.00		NIST
Inp	2167.00		NIST
Inp	2165.00		NIST
Inp	2178.00		NIST
Inp	2181.00		NIST
Inp	2180.00		NIST
Inp	2210.00		NIST
Inp	2190.00		NIST
Inp	2190.00		NIST
Inp	2179.00		NIST
Inp	2181.00		NIST
Inp	2181.00		NIST
Inp	2181.00		NIST
Inp	2180.00		NIST
Inp	2188.00		NIST
Inp	2192.00		NIST
Inp	2190.00		NIST
Inp	2179.00		NIST
Inp	2188.00		NIST
Inp	2210.00		NIST
Tboil	644.14	K	Relay (1.0) Calculated Property
Tc	878.45	K	Relay (1.0) Calculated Property
Tfus	357.47	K	Relay (1.0) Calculated Property
Vc	1.022	m3/kmol	Relay (1.0) Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[898.37; 986.39]	J/mol×K	[841.18; 1064.91]
Cp,gas	898.37	J/mol×K	841.18	Joback Calculated Property
Cp,gas	916.02	J/mol×K	878.47	Joback Calculated Property
Cp,gas	932.33	J/mol×K	915.76	Joback Calculated Property
Cp,gas	947.42	J/mol×K	953.04	Joback Calculated Property
Cp,gas	961.38	J/mol×K	990.33	Joback Calculated Property
Cp,gas	974.34	J/mol×K	1027.62	Joback Calculated Property
Cp,gas	986.39	J/mol×K	1064.91	Joback Calculated Property

Similar Compounds

Find more compounds similar to Propoxyphene.

Sources

• Cheméo Relay (1.0)
• Crippen Method
• Crippen Method
• Joback Method
• McGowan Method
• NIST Webbook

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.
Outlier This icon means that the value is more than 2 standard deviations away from the property mean.