Chemical Properties of 4-thia-1-hepten-6-yne (CAS 89027-60-1)

InChI

InChI=1S/C6H8S/c1-3-5-7-6-4-2/h1,4H,2,5-6H2

InChI Key

PDTBDBRANSKXPV-UHFFFAOYSA-N

Formula

C6H8S

SMILES

C#CCSCC=C

Molecular Weight¹

112.19

CAS

89027-60-1

Other Names

• CH«equiv»CCH2SCH2CH=CH2

• 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°	343.67	kJ/mol	Joback Calculated Property
ΔfH°gas	292.03	kJ/mol	Joback Calculated Property
ΔfusH°	17.12	kJ/mol	Joback Calculated Property
ΔvapH°	34.95	kJ/mol	Joback Calculated Property
log10WS	-1.87		Crippen Calculated Property
logPoct/wat	1.539		Crippen Calculated Property
McVol	98.850	ml/mol	McGowan Calculated Property
Pc	3970.51	kPa	Joback Calculated Property
Inp	[858.00; 858.00]
Inp	858.00		NIST
Inp	858.00		NIST
Tboil	392.26	K	Joback Calculated Property
Tc	600.09	K	Joback Calculated Property
Tfus	236.99	K	Joback Calculated Property
Vc	0.368	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[166.88; 213.94]	J/mol×K	[392.26; 600.09]
Cp,gas	166.88	J/mol×K	392.26	Joback Calculated Property
Cp,gas	175.83	J/mol×K	426.90	Joback Calculated Property
Cp,gas	184.31	J/mol×K	461.54	Joback Calculated Property
Cp,gas	192.35	J/mol×K	496.17	Joback Calculated Property
Cp,gas	199.95	J/mol×K	530.81	Joback Calculated Property
Cp,gas	207.15	J/mol×K	565.45	Joback Calculated Property
Cp,gas	213.94	J/mol×K	600.09	Joback Calculated Property

Similar Compounds

Find more compounds similar to 4-thia-1-hepten-6-yne.

Sources

• 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.