Chemical Properties of Thiophene, tetrahydro-2,5-dimethyl-, trans- (CAS 5161-14-8)

InChI

InChI=1S/C6H12S/c1-5-3-4-6(2)7-5/h5-6H,3-4H2,1-2H3/t5-,6-/m0/s1

InChI Key

IBKCTZVPGMUZGZ-WDSKDSINSA-N

Formula

C6H12S

SMILES

CC1CCC(C)S1

Molecular Weight¹

116.22

CAS

5161-14-8

Other Names

• trans-2,5-Dimethylthiophane
• 2,5-Dimethyl-thiolane (E)
• trans-2,5-Dimethyl-thiacyclopentane
• 2,5-Dimethyltetrahydrothiophene, (E)
• trans 2,5-dimethyltetrahydrothiophene

• 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).
• 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°	68.34	kJ/mol	Joback Calculated Property
ΔfH°gas	-81.77	kJ/mol	Joback Calculated Property
ΔfusH°	9.96	kJ/mol	Joback Calculated Property
ΔvapH°	34.71	kJ/mol	Joback Calculated Property
log10WS	-2.34		Crippen 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	[865.00; 890.00]
Inp	881.00		NIST
Inp	865.00		NIST
Inp	866.00		NIST
Inp	866.00		NIST
Inp	876.00		NIST
Inp	890.00		NIST
Inp	881.00		NIST
Inp	876.00		NIST
Tboil	395.12	K	Joback Calculated Property
Tc	607.56	K	Joback Calculated Property
Tfus	247.49	K	Joback Calculated Property
Vc	0.357	m3/kmol	Joback 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	39.30	kJ/mol	372.00	NIST

Similar Compounds

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

Sources

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

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