- InChI
- InChI=1S/C14H26O2/c1-11(2)9-13(5,15)7-8-14(6,16)10-12(3)4/h11-12,15-16H,9-10H2,1-6H3
- InChI Key
- LXOFYPKXCSULTL-UHFFFAOYSA-N
- Formula
- C14H26O2
- SMILES
- CC(C)CC(C)(O)C#CC(C)(O)CC(C)C
- Molecular Weight1
- 226.35
- CAS
- 126-86-3
- Other Names
-
- 2,4,7,9-Tetramethyl-5-decyne-4,7-diol
- 5-Decyne-4,7-diol, 2,4,7,9-tetramethyl-
- Surfynol 104
- Surfynol 104A
- Surfynol 104E
- Syrfynol 104
- 1,4-Diisobutyl-1,4-dimethylbutynediol
- Surfynol 104BC
- Surfynol 104H
- Surfynol 104PA
- Surfynol TG
- Tetramethyl decynediol
- 2,4,7,9-Tetremathyl-5-decyne-4,7-diol
- NSC 5630
- Olfine AK 02
- 2,4,7,9-tetramethyldec-5-yne-4,7-diol
- 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° | -3.04 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -392.51 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 21.44 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 78.90 | kJ/mol | Joback Calculated Property |
| log10WS | -3.74 | Crippen Calculated Property | |
| logPoct/wat | 2.584 | Crippen Calculated Property | |
| McVol | 211.260 | ml/mol | McGowan Calculated Property |
| Pc | 2135.43 | kPa | Joback Calculated Property |
| Inp | [1407.30; 1407.30] |
|
|
| Inp | 1407.30 | NIST | |
| Inp | 1407.30 | NIST | |
| Tboil | 705.74 | K | Joback Calculated Property |
| Tc | 892.60 | K | Joback Calculated Property |
| Tfus | 450.12 | K | Joback Calculated Property |
| Vc | 0.785 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [613.69; 688.09] | J/mol×K | [705.74; 892.60] |
|
| Cp,gas | 613.69 | J/mol×K | 705.74 | Joback Calculated Property |
| Cp,gas | 627.85 | J/mol×K | 736.88 | Joback Calculated Property |
| Cp,gas | 641.23 | J/mol×K | 768.03 | Joback Calculated Property |
| Cp,gas | 653.90 | J/mol×K | 799.17 | Joback Calculated Property |
| Cp,gas | 665.89 | J/mol×K | 830.31 | Joback Calculated Property |
| Cp,gas | 677.27 | J/mol×K | 861.45 | Joback Calculated Property |
| Cp,gas | 688.09 | J/mol×K | 892.60 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to 2,4,7,9-Tetramethyl-5-decyn-4,7-diol.
Sources
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