Chemical Properties of Thiophene, 2,5-dihydro- (CAS 1708-32-3)

InChI

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

InChI Key

WURYWHAKEJHAOV-UHFFFAOYSA-N

Formula

C4H6S

SMILES

C1=CCSC1

Molecular Weight¹

86.16

CAS

1708-32-3

Other Names

• 2,5-Dihydrothiophene

• Δ_cH°_liquid : Standard liquid enthalpy of combustion (kJ/mol).
• C_p,gas : Ideal gas heat capacity (J/mol×K).
• 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).
• logP_oct/wat : Octanol/Water partition coefficient.
• McVol : McGowan's characteristic volume (ml/mol).
• T_boil : Normal Boiling Point Temperature (K).
• T_fus : Normal melting (fusion) point (K).
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Property	Value	Unit	Source
ΔcH°liquid	-3081.10 ± 1.00	kJ/mol	NIST
ΔfH°gas	87.30 ± 1.20	kJ/mol	NIST
ΔfH°liquid	47.30 ± 1.20	kJ/mol	NIST
ΔfusH°	3.86	kJ/mol	Joback Calculated Property
ΔvapH°	[39.97; 40.00]	kJ/mol
ΔvapH°	39.97	kJ/mol	NIST
ΔvapH°	40.00 ± 0.30	kJ/mol	NIST
ΔvapH°	40.00	kJ/mol	NIST
ΔvapH°	40.00 ± 0.30	kJ/mol	NIST
ΔvapH°	40.00	kJ/mol	NIST
IE	[8.40; 8.54]	eV
IE	8.40	eV	NIST
IE	8.54	eV	NIST
logPoct/wat	1.289		Crippen Calculated Property
McVol	68.410	ml/mol	McGowan Calculated Property
Tboil	[395.45; 395.50]	K
Tboil	395.50	K	NIST
Tboil	395.45 ± 0.50	K	NIST
Tboil	395.45 ± 0.50	K	NIST
Tfus	[223.05; 223.85]	K
Tfus	223.85 ± 1.50	K	NIST
Tfus	223.05 ± 1.00	K	NIST
Tfus	223.85 ± 1.50	K	NIST
Tfus	223.05 ± 1.00	K	NIST

Cheméo can also estimate Critical Temperature, Critical Pressure, Critical Volume, Standard Gibbs free energy of formation, Acentric Factor, Log10 of Water solubility in mol/l for this compound, but they fall outside the models' validated range, so they are not shown here. Open the prediction tool to compute them on demand.

Temperature Dependent Properties

Correlations

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[72.91; 197.36]	J/mol×K	[273.00; 1000.00]	Joback Predicted correlation
Equation			Y = A + B·T + C·T² + D·T³ + E·T⁴ Y is Cp,gas in J/mol×K, T in K
Coefficient A			-3.75700e+01
Coefficient B			5.00410e-01
Coefficient C			-3.82580e-04
Coefficient D			1.17100e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	72.91	J/mol×K	273.00	Calculated Property
Cp,gas	96.77	J/mol×K	353.78	Calculated Property
Cp,gas	117.25	J/mol×K	434.56	Calculated Property
Cp,gas	134.73	J/mol×K	515.33	Calculated Property
Cp,gas	149.59	J/mol×K	596.11	Calculated Property
Cp,gas	162.18	J/mol×K	676.89	Calculated Property
Cp,gas	172.88	J/mol×K	757.67	Calculated Property
Cp,gas	182.07	J/mol×K	838.44	Calculated Property
Cp,gas	190.10	J/mol×K	919.22	Calculated Property
Cp,gas	197.36	J/mol×K	1000.00	Calculated Property

Similar Compounds

Find more compounds similar to Thiophene, 2,5-dihydro-.

Sources

• Cheméo Relay (1.0, beta) Beta: served but experimental, data-limited and below our cross-validation release bar; the Joback value is recommended where available.
• 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.
These property values are available through the Cheméo API. A free account gives you an access key.