- InChI
- InChI=1S/C8H8/c1-2-3-4-5-8-6-7-8/h8H,6-7H2,1H3
- InChI Key
- ZEKLXAZDDKNQBK-UHFFFAOYSA-N
- Formula
- C8H8
- SMILES
- CC#CC#CC1CC1
- Molecular Weight1
- 104.15
- CAS
- 116316-76-8
- ΔcH°liquid : Standard liquid enthalpy of combustion (kJ/mol).
- Cp,gas : Ideal gas heat capacity (J/mol×K).
- ΔfG° : Standard Gibbs free energy of formation (kJ/mol).
- ΔfH°gas : Enthalpy of formation at standard conditions (kJ/mol).
- ΔfH°liquid : Liquid phase enthalpy of formation at standard conditions (kJ/mol).
- ΔfusH° : Enthalpy of fusion at standard conditions (kJ/mol).
- ΔvapH° : Enthalpy of vaporization at standard conditions (kJ/mol).
- log10WS : Log10 of Water solubility in mol/l.
- logPoct/wat : Octanol/Water partition coefficient.
- McVol : McGowan's characteristic volume (ml/mol).
- Pc : Critical Pressure (kPa).
- Tboil : Normal Boiling Point Temperature (K).
- Tc : Critical Temperature (K).
- Tfus : Normal melting (fusion) point (K).
- Vc : Critical Volume (m3/kmol).
- 1: Molecular weight from the IUPAC atomic weights tables.
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Physical Properties
| Property | Value | Unit | Source |
|---|---|---|---|
| ΔcH°liquid | -4724.20 ± 8.00 | kJ/mol | NIST |
| ΔfG° | 482.83 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | 484.70 | kJ/mol | NIST |
| ΔfH°liquid | 432.80 ± 8.00 | kJ/mol | NIST |
| ΔfusH° | 20.86 | kJ/mol | Joback Calculated Property |
| ΔvapH° | [51.90; 51.90] | kJ/mol |
|
| ΔvapH° | 51.90 ± 0.10 | kJ/mol | NIST |
| ΔvapH° | 51.90 | kJ/mol | NIST |
| ΔvapH° | 51.90 | kJ/mol | NIST |
| log10WS | -2.41 | Crippen Calculated Property | |
| logPoct/wat | 1.423 | Crippen Calculated Property | |
| McVol | 95.520 | ml/mol | McGowan Calculated Property |
| Pc | 4238.55 | kPa | Joback Calculated Property |
| Tboil | 407.18 | K | Joback Calculated Property |
| Tc | 642.80 | K | Joback Calculated Property |
| Tfus | 410.06 | K | Joback Calculated Property |
| Vc | 0.364 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [166.33; 228.58] | J/mol×K | [407.18; 642.80] |
|
| Cp,gas | 166.33 | J/mol×K | 407.18 | Joback Calculated Property |
| Cp,gas | 178.52 | J/mol×K | 446.45 | Joback Calculated Property |
| Cp,gas | 189.92 | J/mol×K | 485.72 | Joback Calculated Property |
| Cp,gas | 200.57 | J/mol×K | 524.99 | Joback Calculated Property |
| Cp,gas | 210.53 | J/mol×K | 564.26 | Joback Calculated Property |
| Cp,gas | 219.85 | J/mol×K | 603.53 | Joback Calculated Property |
| Cp,gas | 228.58 | J/mol×K | 642.80 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to 1-Cyclopropylpenta-1,3-diyne.
Sources
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