- InChI
- InChI=1S/C12H22O2/c1-5-7-11(3,13)9-10-12(4,14)8-6-2/h13-14H,5-8H2,1-4H3
- InChI Key
- HCKFFIBKYQSDRD-UHFFFAOYSA-N
- Formula
- C12H22O2
- SMILES
- CCCC(C)(O)C#CC(C)(O)CCC
- Molecular Weight1
- 198.30
- CAS
- 126-87-4
- Other Names
-
- Surfynol 102
- 5-Decyne-4,7-diol, 4,7-dimethyl-
- 4,7-Dimethyl-5-decyn-4,7-diol
- NSC 5625
- ω : Acentric Factor.
- 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).
- IE : Ionization energy (eV).
- 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).
- Tboilr : Boiling point at reduced pressure (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 |
|---|---|---|---|
| ω | 0.7483 | Relay (1.0) Calculated Property | |
| ΔfG° | -15.00 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -308.10 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 23.31 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 92.96 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 9.38 | eV | Relay (1.0) Calculated Property |
| log10WS | -2.16 | Relay (1.0) Calculated Property | |
| logPoct/wat | 2.092 | Crippen Calculated Property | |
| McVol | 183.080 | ml/mol | McGowan Calculated Property |
| Pc | 2530.27 | kPa | Joback Calculated Property |
| Tboil | 511.64 | K | Relay (1.0) Calculated Property |
| Tc | 700.03 | K | Relay (1.0) Calculated Property |
| Tfus | 309.39 | K | Relay (1.0) Calculated Property |
| Vc | 0.687 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [507.33; 574.28] | J/mol×K | [660.86; 844.42] | 
|
| Cp,gas | 507.33 | J/mol×K | 660.86 | Joback Calculated Property |
| Cp,gas | 520.07 | J/mol×K | 691.45 | Joback Calculated Property |
| Cp,gas | 532.12 | J/mol×K | 722.05 | Joback Calculated Property |
| Cp,gas | 543.52 | J/mol×K | 752.64 | Joback Calculated Property |
| Cp,gas | 554.31 | J/mol×K | 783.23 | Joback Calculated Property |
| Cp,gas | 564.55 | J/mol×K | 813.83 | Joback Calculated Property |
| Cp,gas | 574.28 | J/mol×K | 844.42 | Joback Calculated Property |
Pressure Dependent Properties
| Property | Value | Unit | Pressure (kPa) | Source |
|---|---|---|---|---|
| Tboilr | 399.00 ± 1.00 | K | 0.40 | NIST |
Similar Compounds
Find more compounds similar to 4,7-Dimethyl-5-decyne-4,7-diol.
Sources
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