- InChI
- InChI=1S/C10H18O2/c1-5-9(3,11)7-8-10(4,12)6-2/h11-12H,5-6H2,1-4H3
- InChI Key
- NUYADIDKTLPDGG-UHFFFAOYSA-N
- Formula
- C10H18O2
- SMILES
- CCC(C)(O)C#CC(C)(O)CC
- Molecular Weight1
- 170.25
- CAS
- 78-66-0
- Other Names
-
- 3,6-Dimethyl-4-octyne-3,6-diol
- 4-Octyne-3,6-diol, 3,6-dimethyl-
- Surfynol 82
- 4-Octyn-3,6-diol, 3,6-dimethyl-
- 3,6-Dimethyl-octin-4-diol-(3,6)
- Surfynol 82, 82S
- 3,6-dimethyloct-4-yne-3,6-diol
- 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 | 0.6850 | Relay (... Calculated Property | |
| ΔfG° | -31.84 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -293.75 | kJ/mol | Relay (... Calculated Property |
| ΔfusH° | 18.13 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 88.08 | kJ/mol | Relay (... Calculated Property |
| IE | 9.43 | eV | Relay (... Calculated Property |
| log10WS | -1.23 | Relay (... Calculated Property | |
| logPoct/wat | 1.312 | Crippen Calculated Property | |
| McVol | 154.900 | ml/mol | McGowan Calculated Property |
| Pc | 3100.18 | kPa | Joback Calculated Property |
| Tboil | 491.73 | K | Relay (... Calculated Property |
| Tc | 678.42 | K | Relay (... Calculated Property |
| Tfus | 313.12 | K | Relay (... Calculated Property |
| Vc | 0.579 | m3/kmol | Relay (... Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [407.43; 467.73] | J/mol×K | [615.10; 801.74] | 
|
| Cp,gas | 407.43 | J/mol×K | 615.10 | Joback Calculated Property |
| Cp,gas | 419.01 | J/mol×K | 646.21 | Joback Calculated Property |
| Cp,gas | 429.92 | J/mol×K | 677.31 | Joback Calculated Property |
| Cp,gas | 440.20 | J/mol×K | 708.42 | Joback Calculated Property |
| Cp,gas | 449.89 | J/mol×K | 739.52 | Joback Calculated Property |
| Cp,gas | 459.06 | J/mol×K | 770.63 | Joback Calculated Property |
| Cp,gas | 467.73 | J/mol×K | 801.74 | Joback Calculated Property |
Pressure Dependent Properties
| Property | Value | Unit | Pressure (kPa) | Source |
|---|---|---|---|---|
| Tboilr | [375.50; 484.20] | K | [0.30; 90.70] |
|
| Tboilr | 375.50 ± 0.50 | K | 0.30 | NIST |
| Tboilr | 484.20 | K | 90.70 | NIST |
Similar Compounds
Find more compounds similar to 3,6-Dimethyl-4-octyn-3,6-diol.
Sources
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