Chemical Properties of Thiophene, 2-methyl-5-propyl- (CAS 33933-73-2)

InChI

InChI=1S/C8H12S/c1-3-4-8-6-5-7(2)9-8/h5-6H,3-4H2,1-2H3

InChI Key

ZWLVQEKJYWHJRM-UHFFFAOYSA-N

Formula

C8H12S

SMILES

CCCc1ccc(C)s1

Molecular Weight¹

140.25

CAS

33933-73-2

Other Names

• 2-Methyl-5-propylthiophene

• Δ_vapH° : Enthalpy of vaporization at standard conditions (kJ/mol).
• IE : Ionization energy (eV).
• 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).
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Property	Value	Unit	Source
ΔvapH°	49.60	kJ/mol	Relay (1.0) Calculated Property
IE	8.08	eV	Relay (1.0) Calculated Property
logPoct/wat	3.009		Crippen Calculated Property
McVol	120.470	ml/mol	McGowan Calculated Property
Pc	2933.95	kPa	Relay (1.0-beta) Calculated Property
Inp	[1033.00; 1035.00]
Inp	1033.00		NIST
Inp	1035.00		NIST
Inp	1033.00		NIST
Inp	1035.00		NIST
I	1314.00		NIST
Tboil	449.29	K	Relay (1.0) Calculated Property
Tc	650.58	K	Relay (1.0) Calculated Property
Tfus	223.81	K	Relay (1.0) Calculated Property

Cheméo can also estimate Critical Volume, Enthalpy of formation at standard conditions, 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.

Similar Compounds

Find more compounds similar to Thiophene, 2-methyl-5-propyl-.

Sources

• Cheméo Relay (1.0)
• 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
• 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.
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