- InChI
- InChI=1S/C13H22/c1-3-5-7-9-11-13-12-10-8-6-4-2/h7,9H,3-6,8,10,12H2,1-2H3/b9-7+
- InChI Key
- NPZMKXJJWSFOQL-VQHVLOKHSA-N
- Formula
- C13H22
- SMILES
- CCCC=CC#CCCCCCC
- Molecular Weight1
- 178.31
- CAS
- 74744-43-7
- Other Names
-
- (4E)-4-Tridecen-6-yne
- 4E-tridecen-6-yne
- 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).
- 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).
- Inp : Non-polar retention indices.
- 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 |
|---|---|---|---|
| ΔfG° | 341.60 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | 77.87 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 32.75 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 46.64 | kJ/mol | Joback Calculated Property |
| log10WS | -4.91 | Crippen Calculated Property | |
| logPoct/wat | 4.316 | Crippen Calculated Property | |
| McVol | 181.130 | ml/mol | McGowan Calculated Property |
| Pc | 1968.30 | kPa | Joback Calculated Property |
| Inp | [1607.00; 1607.00] |
|
|
| Inp | 1607.00 | NIST | |
| Inp | 1607.00 | NIST | |
| Tboil | 510.00 | K | Joback Calculated Property |
| Tc | 697.27 | K | Joback Calculated Property |
| Tfus | 337.29 | K | Joback Calculated Property |
| Vc | 0.706 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [407.01; 497.13] | J/mol×K | [510.00; 697.27] |
|
| Cp,gas | 407.01 | J/mol×K | 510.00 | Joback Calculated Property |
| Cp,gas | 423.87 | J/mol×K | 541.21 | Joback Calculated Property |
| Cp,gas | 439.95 | J/mol×K | 572.42 | Joback Calculated Property |
| Cp,gas | 455.29 | J/mol×K | 603.63 | Joback Calculated Property |
| Cp,gas | 469.91 | J/mol×K | 634.85 | Joback Calculated Property |
| Cp,gas | 483.85 | J/mol×K | 666.06 | Joback Calculated Property |
| Cp,gas | 497.13 | J/mol×K | 697.27 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to 4-Tridecen-6-yne, (E)-.
Sources
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