Chemical Properties of 5-ethyl-7-pentyl-1,2,3,4,6-pentathiepane

InChI

InChI=1S/C9H18S5/c1-3-5-6-7-9-10-8(4-2)11-13-14-12-9/h8-9H,3-7H2,1-2H3

InChI Key

UYOUHTYDMFGWKP-UHFFFAOYSA-N

Formula

C9H18S5

SMILES

CCCCCC1SSSSC(CC)S1

Molecular Weight¹

286.56

Other Names

• 1,2,3,4,6-Pentathiepane, 7-ethyl-5-pentyl

• 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	0.3802		Relay (1.0) Calculated Property
ΔfG°	228.84	kJ/mol	Joback Calculated Property
ΔfH°gas	-50.20	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	28.16	kJ/mol	Joback Calculated Property
ΔvapH°	101.13	kJ/mol	Relay (1.0) Calculated Property
IE	8.13	eV	Relay (1.0) Calculated Property
log10WS	-5.02		Relay (1.0) Calculated Property
logPoct/wat	6.053		Crippen Calculated Property
McVol	208.560	ml/mol	McGowan Calculated Property
Pc	2726.86	kPa	Joback Calculated Property
Inp	[1923.00; 2005.00]
Inp	2005.00		NIST
Inp	1923.00		NIST
Tboil	630.22	K	Relay (1.0) Calculated Property
Tc	851.90	K	Relay (1.0) Calculated Property
Tfus	358.55	K	Relay (1.0) Calculated Property
Vc	0.699	m3/kmol	Relay (1.0) Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[503.41; 593.48]	J/mol×K	[663.62; 933.89]
Cp,gas	503.41	J/mol×K	663.62	Joback Calculated Property
Cp,gas	521.75	J/mol×K	708.67	Joback Calculated Property
Cp,gas	538.69	J/mol×K	753.71	Joback Calculated Property
Cp,gas	554.28	J/mol×K	798.76	Joback Calculated Property
Cp,gas	568.58	J/mol×K	843.80	Joback Calculated Property
Cp,gas	581.63	J/mol×K	888.85	Joback Calculated Property
Cp,gas	593.48	J/mol×K	933.89	Joback Calculated Property

Similar Compounds

Find more compounds similar to 5-ethyl-7-pentyl-1,2,3,4,6-pentathiepane.

Sources

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

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