Chemical Properties of Ethanethioamide (CAS 62-55-5)

InChI

InChI=1S/C2H5NS/c1-2(3)4/h1H3,(H2,3,4)

InChI Key

YUKQRDCYNOVPGJ-UHFFFAOYSA-N

Formula

C2H5NS

SMILES

CC(N)=S

Molecular Weight¹

75.13

CAS

62-55-5

Other Names

• Acetamide, thio-
• Acetimidic acid, thio-
• Acetothioamide
• Thiacetamide
• Thioacetamide
• TAA
• CH3CSNH2
• USAF CB-21
• USAF EK-1719
• Rcra waste number U218
• NSC 2120

• PAff : Proton affinity (kJ/mol).
• BasG : Gas basicity (kJ/mol).
• Δ_cH°_solid : Standard solid enthalpy of combustion (kJ/mol).
• C_p,gas : Ideal gas heat capacity (J/mol×K).
• C_p,solid : Solid phase 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_fH°_solid : Solid phase enthalpy of formation at standard conditions (kJ/mol).
• Δ_fusH° : Enthalpy of fusion 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).
• 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).
• Δ_subS : Entropy of sublimation at a given temperature (J/mol×K).
• 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
PAff	884.60	kJ/mol	NIST
BasG	852.80	kJ/mol	NIST
ΔcH°solid	[-2033.40; -2030.56]	kJ/mol
ΔcH°solid	-2033.40 ± 1.10	kJ/mol	NIST
ΔcH°solid	-2030.56 ± 0.36	kJ/mol	NIST
ΔfG°	149.47	kJ/mol	Joback Calculated Property
ΔfH°gas	[9.80; 12.70]	kJ/mol
ΔfH°gas	12.70 ± 1.20	kJ/mol	NIST
ΔfH°gas	9.80 ± 0.50	kJ/mol	NIST
ΔfH°solid	[-73.01; -70.60]	kJ/mol
ΔfH°solid	-70.60 ± 1.10	kJ/mol	NIST
ΔfH°solid	-73.01 ± 0.43	kJ/mol	NIST
ΔfusH°	10.74	kJ/mol	Joback Calculated Property
ΔsubH°	[82.80; 83.30]	kJ/mol
ΔsubH°	83.26 ± 0.34	kJ/mol	NIST
ΔsubH°	83.30 ± 0.30	kJ/mol	NIST
ΔsubH°	82.80 ± 0.25	kJ/mol	NIST
ΔsubH°	82.80 ± 0.30	kJ/mol	NIST
ΔvapH°	37.42	kJ/mol	Joback Calculated Property
IE	[8.33; 8.36]	eV
IE	8.35 ± 0.02	eV	NIST
IE	8.36	eV	NIST
IE	8.36	eV	NIST
IE	8.33	eV	NIST
log10WS	-0.95		Crippen Calculated Property
logPoct/wat	0.292		Crippen Calculated Property
McVol	61.070	ml/mol	McGowan Calculated Property
Pc	6288.83	kPa	Joback Calculated Property
Tboil	387.73	K	Joback Calculated Property
Tc	605.84	K	Joback Calculated Property
Tfus	386.42 ± 0.20	K	NIST
Vc	0.212	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[97.26; 124.17]	J/mol×K	[387.73; 605.84]
Cp,gas	97.26	J/mol×K	387.73	Joback Calculated Property
Cp,gas	102.77	J/mol×K	424.08	Joback Calculated Property
Cp,gas	107.82	J/mol×K	460.43	Joback Calculated Property
Cp,gas	112.45	J/mol×K	496.79	Joback Calculated Property
Cp,gas	116.69	J/mol×K	533.14	Joback Calculated Property
Cp,gas	120.58	J/mol×K	569.49	Joback Calculated Property
Cp,gas	124.17	J/mol×K	605.84	Joback Calculated Property
Cp,solid	100.30	J/mol×K	298.00	NIST
ΔfusH	[18.36; 18.36]	kJ/mol	[385.70; 385.70]
ΔfusH	18.36	kJ/mol	385.70	NIST
ΔfusH	18.36	kJ/mol	385.70	NIST
ΔsubH	82.80	kJ/mol	298.15	NIST
ΔsubS	277.70	J/mol×K	298.15	NIST

Similar Compounds

Find more compounds similar to Ethanethioamide.

Sources

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

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