Chemical Properties of Butamirate Citrate (CAS 18109-81-4)

InChI

InChI=1S/C18H29NO3/c1-4-17(16-10-8-7-9-11-16)18(20)22-15-14-21-13-12-19(5-2)6-3/h7-11,17H,4-6,12-15H2,1-3H3

InChI Key

DDVUMDPCZWBYRA-UHFFFAOYSA-N

Formula

C18H29NO3

SMILES

CCC(C(=O)OCCOCCN(CC)CC)c1ccccc1

Molecular Weight¹

307.43

CAS

18109-81-4

Other Names

• diethyl[2-[2-(2-phenylbutyroyloxy)ethoxy]ethyl]ammonium dihydrogen citrate

• C_p,gas : Ideal gas heat capacity (J/mol×K).
• Δ_fusH° : Enthalpy of fusion at standard conditions (kJ/mol).
• logP_oct/wat : Octanol/Water partition coefficient.
• McVol : McGowan's characteristic volume (ml/mol).
• I_np : Non-polar retention indices.
• T_boil : Normal Boiling Point Temperature (K).
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Property	Value	Unit	Source
ΔfusH°	39.89	kJ/mol	Joback Calculated Property
logPoct/wat	3.082		Crippen Calculated Property
McVol	264.010	ml/mol	McGowan Calculated Property
Inp	[2021.00; 2021.00]
Inp	2021.00		NIST
Inp	2021.00		NIST
Tboil	616.66	K	Relay (1.0) Calculated Property

Cheméo can also estimate Normal melting (fusion) point, Critical Temperature, Critical Pressure, Critical Volume, Enthalpy of formation at standard conditions, Enthalpy of vaporization at standard conditions, Standard Gibbs free energy of formation, Acentric Factor, Ionization energy, Log10 of Water solubility in mol/l 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
Cp,gas	[782.81; 873.48]	J/mol×K	[748.63; 941.68]
Cp,gas	782.81	J/mol×K	748.63	Joback Calculated Property
Cp,gas	800.50	J/mol×K	780.81	Joback Calculated Property
Cp,gas	817.13	J/mol×K	812.98	Joback Calculated Property
Cp,gas	832.71	J/mol×K	845.16	Joback Calculated Property
Cp,gas	847.27	J/mol×K	877.33	Joback Calculated Property
Cp,gas	860.85	J/mol×K	909.51	Joback Calculated Property
Cp,gas	873.48	J/mol×K	941.68	Joback Calculated Property

Similar Compounds

Find more compounds similar to Butamirate Citrate.

Sources

• Cheméo Relay (1.0)
• Cheméo Relay (1.0, beta) Beta: served but experimental, data-limited and below our cross-validation release bar; the Joback value is recommended where available.
• 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.
These property values are available through the Cheméo API. A free account gives you an access key.