Chemical Properties of Thiourea, N,N'-dibutyl- (CAS 109-46-6)

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

188.33

CAS

109-46-6

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

• 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_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).
• 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

Property	Value	Unit	Source
ΔfG°	320.74	kJ/mol	Joback Calculated Property
ΔfH°gas	24.35	kJ/mol	Joback 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°	55.23	kJ/mol	Joback Calculated Property
log10WS	-3.31		Crippen 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	575.70	K	Joback Calculated Property
Tc	767.51	K	Joback Calculated Property
Tfus	337.50 ± 0.10	K	NIST
Vc	0.645	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[414.66; 488.08]	J/mol×K	[575.70; 767.51]
Cp,gas	414.66	J/mol×K	575.70	Joback Calculated Property
Cp,gas	428.62	J/mol×K	607.67	Joback Calculated Property
Cp,gas	441.84	J/mol×K	639.64	Joback Calculated Property
Cp,gas	454.35	J/mol×K	671.61	Joback Calculated Property
Cp,gas	466.20	J/mol×K	703.57	Joback Calculated Property
Cp,gas	477.43	J/mol×K	735.54	Joback Calculated Property
Cp,gas	488.08	J/mol×K	767.51	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

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

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