Chemical Properties of Thiophene, 2,3-dihydro- (CAS 1120-59-8)

InChI

InChI=1S/C4H6S/c1-2-4-5-3-1/h1,3H,2,4H2

InChI Key

OXBLVCZKDOZZOJ-UHFFFAOYSA-N

Formula

C4H6S

SMILES

C1=CSCC1

Molecular Weight¹

86.16

CAS

1120-59-8

Other Names

• 2,3-Dihydrothiophene
• Dihydro-2-(3H)-thiophene

• Δ_cH°_liquid : Standard liquid enthalpy of combustion (kJ/mol).
• 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_fH°_liquid : Liquid phase 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.
• I : 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
ΔcH°liquid	-3086.80 ± 1.00	kJ/mol	NIST
ΔfG°	96.88	kJ/mol	Joback Calculated Property
ΔfH°gas	90.70 ± 1.30	kJ/mol	NIST
ΔfH°liquid	52.90 ± 1.20	kJ/mol	NIST
ΔfusH°	3.86	kJ/mol	Joback Calculated Property
ΔvapH°	[37.70; 37.80]	kJ/mol
ΔvapH°	37.79	kJ/mol	NIST
ΔvapH°	37.70 ± 0.40	kJ/mol	NIST
ΔvapH°	37.80	kJ/mol	NIST
IE	8.11	eV	NIST
log10WS	-1.62		Crippen Calculated Property
logPoct/wat	1.637		Crippen Calculated Property
McVol	68.410	ml/mol	McGowan Calculated Property
Pc	5414.53	kPa	Joback Calculated Property
Inp	[764.00; 780.00]
Inp	767.00		NIST
Inp	768.00		NIST
Inp	764.00		NIST
Inp	780.00		NIST
I	1104.00		NIST
Tboil	[385.15; 385.20]	K
Tboil	385.20	K	NIST
Tboil	385.15 ± 0.60	K	NIST
Tc	577.67	K	Joback Calculated Property
Tfus	[163.55; 164.45]	K
Tfus	164.45 ± 1.50	K	NIST
Tfus	163.55 ± 1.00	K	NIST
Vc	0.234	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[97.88; 146.41]	J/mol×K	[357.86; 577.67]
Cp,gas	97.88	J/mol×K	357.86	Joback Calculated Property
Cp,gas	107.49	J/mol×K	394.49	Joback Calculated Property
Cp,gas	116.44	J/mol×K	431.13	Joback Calculated Property
Cp,gas	124.78	J/mol×K	467.76	Joback Calculated Property
Cp,gas	132.53	J/mol×K	504.40	Joback Calculated Property
Cp,gas	139.73	J/mol×K	541.03	Joback Calculated Property
Cp,gas	146.41	J/mol×K	577.67	Joback Calculated Property
ΔvapH	33.24	kJ/mol	385.20	NIST

Similar Compounds

Find more compounds similar to Thiophene, 2,3-dihydro-.

Sources

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

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