Chemical Properties of Carbamothioic acid, N-butyl-N-(2-propynyl), s-ethyl ester (CAS 59300-35-5)

InChI

InChI=1S/C10H17NOS/c1-4-7-9-11(8-5-2)10(12)13-6-3/h2H,4,6-9H2,1,3H3

InChI Key

BDKSDZPMBZXPED-UHFFFAOYSA-N

Formula

C10H17NOS

SMILES

C#CCN(CCCC)C(=O)SCC

Molecular Weight¹

199.31

CAS

59300-35-5

• 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_subH : Enthalpy of sublimation at a given temperature (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).
• 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

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[396.71; 470.87]	J/mol×K	[553.41; 754.28]
Cp,gas	396.71	J/mol×K	553.41	Joback Calculated Property
Cp,gas	410.92	J/mol×K	586.89	Joback Calculated Property
Cp,gas	424.34	J/mol×K	620.37	Joback Calculated Property
Cp,gas	437.02	J/mol×K	653.85	Joback Calculated Property
Cp,gas	448.99	J/mol×K	687.33	Joback Calculated Property
Cp,gas	460.26	J/mol×K	720.80	Joback Calculated Property
Cp,gas	470.87	J/mol×K	754.28	Joback Calculated Property
ΔsubH	82.10	kJ/mol	305.50	NIST

Similar Compounds

Find more compounds similar to Carbamothioic acid, N-butyl-N-(2-propynyl), s-ethyl ester.

Sources

• Crippen Method
• Crippen Method
• Joback Method
• McGowan Method
• NIST Webbook

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