Chemical Properties of Thiourea, N,N'-dibutyl-

InChI

InChI=1S/C9H20N2S/c1-3-5-7-10-9(12)11-8-6-4-2/h3-8H2,1-2H3,(H2,10,11,12)

InChI Key

KFFQABQEJATQAT-UHFFFAOYSA-N

Formula

C9H20N2S

SMILES

CCCCNC(=S)NCCCC

Molecular Weight¹

188.34

Other Names

• Urea, 1,3-dibutyl-2-thio-
• N,N'-Dibutylthiourea
• Pennzone B
• 1,3-Dibutyl-2-thiourea
• 1,3-Dibutylthiourea
• N,N'-di-Normal-butylthiourea
• N,N'-di-n-Butylthiourea
• 1,3-di-n-Butylthiourea
• Urea, 1,3-di-N-butyl-2-thio-
• USAF EK-2138
• 1,3-Di-N-butyl-2-thiourea
• Thiate U
• NSC 3735
• 1,3-Butylthiourea

• ω : Acentric Factor.
• C_p,gas : Ideal gas heat capacity (J/mol×K).
• Δ_fH°_gas : 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_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).
• 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.

Physical Properties

Property	Value	Unit	Source
ω	0.6224		Relay (1.0) Calculated Property
ΔfH°gas	-138.92	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	33.87	kJ/mol	Joback Calculated Property
ΔsubH°	[137.00; 141.00]	kJ/mol
ΔsubH°	141.00 ± 2.00	kJ/mol	NIST
ΔsubH°	137.00 ± 3.00	kJ/mol	NIST
ΔvapH°	88.26	kJ/mol	Relay (1.0) Calculated Property
IE	7.63	eV	Relay (1.0) Calculated Property
log10WS	-3.72		Relay (1.0) Calculated Property
logPoct/wat	2.051		Crippen Calculated Property
McVol	169.680	ml/mol	McGowan Calculated Property
Pc	2592.49	kPa	Joback Calculated Property
Tboil	546.35	K	Relay (1.0) Calculated Property
Tc	755.17	K	Relay (1.0) Calculated Property
Tfus	337.50 ± 0.10	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
Cp,gas	[414.75; 488.17]	J/mol×K	[575.90; 767.78]
Cp,gas	414.75	J/mol×K	575.90	Joback Calculated Property
Cp,gas	428.71	J/mol×K	607.88	Joback Calculated Property
Cp,gas	441.93	J/mol×K	639.86	Joback Calculated Property
Cp,gas	454.44	J/mol×K	671.84	Joback Calculated Property
Cp,gas	466.29	J/mol×K	703.82	Joback Calculated Property
Cp,gas	477.52	J/mol×K	735.80	Joback Calculated Property
Cp,gas	488.17	J/mol×K	767.78	Joback Calculated Property
ΔfusH	28.34	kJ/mol	338.00	NIST
ΔvapH	105.00 ± 2.00	kJ/mol	385.50	NIST

Similar Compounds

Find more compounds similar to Thiourea, N,N'-dibutyl-.

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.
These property values are available through the Cheméo API. A free account gives you an access key.