Chemical Properties of 4,5-Dimethyl-2-isobutylthiazoline

InChI

InChI=1S/C9H17NS/c1-6(2)5-9-10-7(3)8(4)11-9/h6-8H,5H2,1-4H3

InChI Key

NSLQTPPCWPMFKX-UHFFFAOYSA-N

Formula

C9H17NS

SMILES

CC(C)CC1=NC(C)C(C)S1

Molecular Weight¹

171.30

• ω : Acentric Factor.
• 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_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).
• I_np : Non-polar retention indices.
• 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
ω	0.3583		Relay (1.0) Calculated Property
ΔfG°	228.27	kJ/mol	Joback Calculated Property
ΔfH°gas	-70.81	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	20.18	kJ/mol	Joback Calculated Property
ΔvapH°	54.60	kJ/mol	Relay (1.0) Calculated Property
IE	8.01	eV	Relay (1.0) Calculated Property
log10WS	-2.04		Relay (1.0) Calculated Property
logPoct/wat	2.955		Crippen Calculated Property
McVol	148.840	ml/mol	McGowan Calculated Property
Pc	2738.28	kPa	Joback Calculated Property
Inp	[1206.00; 1212.00]
Inp	1206.00		NIST
Inp	1212.00		NIST
Tboil	466.97	K	Relay (1.0) Calculated Property
Tc	682.94	K	Relay (1.0) Calculated Property
Tfus	274.77	K	Relay (1.0) Calculated Property
Vc	0.535	m3/kmol	Relay (1.0) Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[354.44; 450.73]	J/mol×K	[521.16; 744.46]
Cp,gas	354.44	J/mol×K	521.16	Joback Calculated Property
Cp,gas	372.87	J/mol×K	558.38	Joback Calculated Property
Cp,gas	390.33	J/mol×K	595.59	Joback Calculated Property
Cp,gas	406.83	J/mol×K	632.81	Joback Calculated Property
Cp,gas	422.40	J/mol×K	670.03	Joback Calculated Property
Cp,gas	437.03	J/mol×K	707.25	Joback Calculated Property
Cp,gas	450.73	J/mol×K	744.46	Joback Calculated Property

Similar Compounds

Find more compounds similar to 4,5-Dimethyl-2-isobutylthiazoline.

Sources

• Cheméo Relay (1.0)
• Crippen Method
• Crippen Method
• Joback Method
• McGowan Method
• NIST Webbook

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