Chemical Properties of 1-Propyne, 3-[(1-methylethyl)thio]- (CAS 14272-25-4)

InChI

InChI=1S/C6H10S/c1-4-5-7-6(2)3/h1,6H,5H2,2-3H3

InChI Key

LIIXPZMKZWEJRJ-UHFFFAOYSA-N

Formula

C6H10S

SMILES

C#CCSC(C)C

Molecular Weight¹

114.21

CAS

14272-25-4

Other Names

• Sulfide, isopropyl 2-propynyl
• 3-(Isopropylsulfanyl)-1-propyne
• 5-Methyl-4-thia-1-hexyne
• Isopropyl propargyl sulfide

• 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).
• 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
ΔfG°	253.39	kJ/mol	Joback Calculated Property
ΔfH°gas	161.32	kJ/mol	Joback Calculated Property
ΔfusH°	14.88	kJ/mol	Joback Calculated Property
ΔvapH°	35.24	kJ/mol	Joback Calculated Property
log10WS	-2.12		Crippen Calculated Property
logPoct/wat	1.761		Crippen Calculated Property
McVol	103.150	ml/mol	McGowan Calculated Property
Pc	3805.69	kPa	Joback Calculated Property
Inp	[833.00; 833.00]
Inp	833.00		NIST
Inp	833.00		NIST
Tboil	395.14	K	Joback Calculated Property
Tc	603.38	K	Joback Calculated Property
Tfus	223.75	K	Joback Calculated Property
Vc	0.382	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[181.17; 234.77]	J/mol×K	[395.14; 603.38]
Cp,gas	181.17	J/mol×K	395.14	Joback Calculated Property
Cp,gas	191.24	J/mol×K	429.85	Joback Calculated Property
Cp,gas	200.84	J/mol×K	464.55	Joback Calculated Property
Cp,gas	209.98	J/mol×K	499.26	Joback Calculated Property
Cp,gas	218.68	J/mol×K	533.96	Joback Calculated Property
Cp,gas	226.93	J/mol×K	568.67	Joback Calculated Property
Cp,gas	234.77	J/mol×K	603.38	Joback Calculated Property

Similar Compounds

Find more compounds similar to 1-Propyne, 3-[(1-methylethyl)thio]-.

Sources

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

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