Chemical Properties of Thiophene, tetrahydro-2,5-dimethyl-, cis- (CAS 5161-13-7)

InChI

InChI=1S/C6H12S/c1-5-3-4-6(2)7-5/h5-6H,3-4H2,1-2H3/t5-,6+

InChI Key

IBKCTZVPGMUZGZ-OLQVQODUSA-N

Formula

C6H12S

SMILES

CC1CCC(C)S1

Molecular Weight¹

116.22

CAS

5161-13-7

Other Names

• cis-2,5-Dimethylthiophane
• 2,5-Dimethyl-thiolane (Z)
• cis-2,5-Dimethyl-thiacyclopentane
• 2,5-Dimethyltetrahydrothiophene, cis
• cis-2,5-Dimethylthiolane
• cis 2,5-dimethyltetrahydrothiophene

• 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).
• Δ_vapH : Enthalpy of vaporization at a given temperature (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	0.2476		Relay (1.0) Calculated Property
ΔfG°	68.34	kJ/mol	Joback Calculated Property
ΔfH°gas	-77.24	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	9.96	kJ/mol	Joback Calculated Property
ΔvapH°	39.44	kJ/mol	Relay (1.0) Calculated Property
IE	8.03	eV	Relay (1.0) Calculated Property
log10WS	-1.92		Relay (1.0) Calculated Property
logPoct/wat	2.290		Crippen Calculated Property
McVol	100.890	ml/mol	McGowan Calculated Property
Pc	3659.77	kPa	Joback Calculated Property
Inp	[862.00; 895.00]
Inp	885.00		NIST
Inp	862.00		NIST
Inp	863.00		NIST
Inp	863.00		NIST
Inp	874.00		NIST
Inp	895.00		NIST
Inp	874.00		NIST
Tboil	410.48	K	Relay (1.0) Calculated Property
Tc	612.37	K	Relay (1.0) Calculated Property
Tfus	181.43	K	Relay (1.0) Calculated Property
Vc	0.355	m3/kmol	Relay (1.0) Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[182.26; 258.85]	J/mol×K	[395.12; 607.56]
Cp,gas	182.26	J/mol×K	395.12	Joback Calculated Property
Cp,gas	196.77	J/mol×K	430.53	Joback Calculated Property
Cp,gas	210.55	J/mol×K	465.93	Joback Calculated Property
Cp,gas	223.63	J/mol×K	501.34	Joback Calculated Property
Cp,gas	236.02	J/mol×K	536.74	Joback Calculated Property
Cp,gas	247.76	J/mol×K	572.15	Joback Calculated Property
Cp,gas	258.85	J/mol×K	607.56	Joback Calculated Property
ΔvapH	[39.70; 41.70]	kJ/mol	[377.50; 388.00]
ΔvapH	41.70	kJ/mol	377.50	NIST
ΔvapH	39.70	kJ/mol	388.00	NIST

Similar Compounds

Find more compounds similar to Thiophene, tetrahydro-2,5-dimethyl-, cis-.

Sources

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

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