- InChI
- InChI=1S/C6H12O/c1-2-3-4-5-6-7/h3-4,7H,2,5-6H2,1H3/b4-3-/i1D2
- InChI Key
- UFLHIIWVXFIJGU-LISKURKRSA-N
- Formula
- C6H10D2O
- SMILES
- CCC=CCCO
- Molecular Weight1
- 102.17
- ω : Acentric Factor.
- Cp,gas : Ideal gas heat capacity (J/mol×K).
- η : Dynamic viscosity (Pa×s).
- 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).
- logPoct/wat : Octanol/Water partition coefficient.
- McVol : McGowan's characteristic volume (ml/mol).
- Pc : Critical Pressure (kPa).
- I : 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 |
|---|---|---|---|
| ω | 0.5581 | Relay (1.0) Calculated Property | |
| ΔfG° | -56.96 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -242.62 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 15.59 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 59.31 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 9.13 | eV | Relay (1.0) Calculated Property |
| logPoct/wat | 1.335 | Crippen Calculated Property | |
| McVol | 96.970 | ml/mol | McGowan Calculated Property |
| Pc | 3673.09 | kPa | Joback Calculated Property |
| I | [1386.00; 1386.00] |
|
|
| I | 1386.00 | NIST | |
| I | 1386.00 | NIST | |
| Tboil | 424.90 | K | Relay (1.0) Calculated Property |
| Tc | 618.86 | K | Relay (1.0) Calculated Property |
| Tfus | 185.86 | K | Relay (1.0) Calculated Property |
| Vc | 0.348 | m3/kmol | Relay (1.0) Calculated Property |
Cheméo can also estimate Log10 of Water solubility in mol/l for this compound, but it falls outside the models' validated range, so it is not shown here. Open the prediction tool to compute it on demand.
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [191.85; 241.06] | J/mol×K | [433.22; 602.04] |
|
| Cp,gas | 191.85 | J/mol×K | 433.22 | Joback Calculated Property |
| Cp,gas | 201.00 | J/mol×K | 461.36 | Joback Calculated Property |
| Cp,gas | 209.76 | J/mol×K | 489.49 | Joback Calculated Property |
| Cp,gas | 218.13 | J/mol×K | 517.63 | Joback Calculated Property |
| Cp,gas | 226.12 | J/mol×K | 545.77 | Joback Calculated Property |
| Cp,gas | 233.76 | J/mol×K | 573.90 | Joback Calculated Property |
| Cp,gas | 241.06 | J/mol×K | 602.04 | Joback Calculated Property |
| η | [0.0002000; 0.0918576] | Pa×s | [213.12; 433.22] |
|
| η | 0.0918576 | Pa×s | 213.12 | Joback Calculated Property |
| η | 0.0156200 | Pa×s | 249.80 | Joback Calculated Property |
| η | 0.0041811 | Pa×s | 286.49 | Joback Calculated Property |
| η | 0.0015095 | Pa×s | 323.17 | Joback Calculated Property |
| η | 0.0006708 | Pa×s | 359.85 | Joback Calculated Property |
| η | 0.0003464 | Pa×s | 396.54 | Joback Calculated Property |
| η | 0.0002000 | Pa×s | 433.22 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to 3Z-hexenol-d2.
Sources
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