Molecular properties
- Formula
- C3H4
- Molar mass
- 40.06 g·mol−1
- Exact mass
- 40.0313 Da
- 2
- 0
- 0
- 0.00 Ų
- 0.9 (PubChem computed XLogP3-AA descriptor)
- CAS
- 74-99-7
- PubChem CID
- 6335
Molecule record
Propyne
C3H4
40.06 g/mol
Interactions
- Polarity
- Often weakly polar or nonpolar unless other structural features dominate.
- Acid-base behavior
- Review ionizable groups and pKa data where available; ChemForge does not infer definitive acid-base state from identity alone.
- Intermolecular forces
- Assess dispersion, dipole interactions, hydrogen bonding, and ionic character from the functional groups shown.
Functional groups
Alkyne
Physical properties
| Property | Value | Conditions | Source |
|---|---|---|---|
| Logp | 0.9 | PubChem computed XLogP3-AA descriptor | PubChem(link only) |
Common names and synonyms
- 086L40ET1B
- 1-PROPYNE
- 200-828-4
- 28391-48-2
- 7299-37-8
- 74-99-7
- Acetylene, methyl-
- Allylene
Show all 22 synonyms
- Allylene; Methylacetylene; Propine
- CCRIS 6830
- CHEBI:48086
- DTXCID406387
- DTXSID0026387
- HSDB 2508
- METHYLACETYLENE-D1
- MFCD00036235
- Methyl acetylene
- Methylacetylene
- Propyne, ca. 4% in N,N-Dimethylformamide, ca. 1.0mol/L
- Propynylidyne
- RefChem:6178
- prop-1-yne
Structure identifiers
- Canonical SMILES
- CC#C
- Isomeric SMILES
- CC#C
- InChI
- InChI=1S/C3H4/c1-3-2/h1H,2H3
- InChIKey
- MWWATHDPGQKSAR-UHFFFAOYSA-N
- PubChem CID
- 6335
Spectroscopy
Tabs appear only for spectra stored with clear provenance.
Simulated FTIR trace
Predicted FTIR / %T
4 cm-1 resolution / deterministic instrument profile
Hover for cursor
Peak assignments
2120 cm−1C≡C alkyne (simulated)
2960 cm−1sp3 C-H (simulated)
Simulated NMR
On-demand educational prediction for Propyne; not experimental data.
Simulated EI mass spectrum
On-demand educational fragmentation for Propyne; not experimental data.
Sources
Molecule identity
Retrieved 8/7/2026. Reuse status is summarized by the badge; open the source for full details.
simulated IR
ChemForge original educational simulation.