- InChI
- InChI=1S/C9H16O2/c1-3-5-6-7-8-11-9(10)4-2/h5-6H,3-4,7-8H2,1-2H3/b6-5-/i1D2
- InChI Key
- LGTLDEUQCOJGFP-BQAWHLCESA-N
- Formula
- C9H14D2O2
- SMILES
- CCC=CCCOC(=O)CC
- Molecular Weight1
- 158.23
- 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).
- 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).
- 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 | 0.4680 | Relay (... Calculated Property | |
| ΔfG° | -128.80 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -469.46 | kJ/mol | Relay (... Calculated Property |
| ΔfusH° | 22.05 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 52.23 | kJ/mol | Relay (... Calculated Property |
| IE | 9.16 | eV | Relay (... Calculated Property |
| log10WS | -2.12 | Relay (... Calculated Property | |
| logPoct/wat | 2.296 | Crippen Calculated Property | |
| McVol | 140.810 | ml/mol | McGowan Calculated Property |
| Pc | 2540.49 | kPa | Joback Calculated Property |
| I | 1383.00 | NIST | |
| Tboil | 451.06 | K | Relay (... Calculated Property |
| Tc | 633.43 | K | Relay (... Calculated Property |
| Tfus | 192.25 | K | Relay (... Calculated Property |
| Vc | 0.521 | m3/kmol | Relay (... Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [306.02; 375.62] | J/mol×K | [485.77; 667.32] | 
|
| Cp,gas | 306.02 | J/mol×K | 485.77 | Joback Calculated Property |
| Cp,gas | 318.93 | J/mol×K | 516.03 | Joback Calculated Property |
| Cp,gas | 331.30 | J/mol×K | 546.29 | Joback Calculated Property |
| Cp,gas | 343.15 | J/mol×K | 576.54 | Joback Calculated Property |
| Cp,gas | 354.47 | J/mol×K | 606.80 | Joback Calculated Property |
| Cp,gas | 365.29 | J/mol×K | 637.06 | Joback Calculated Property |
| Cp,gas | 375.62 | J/mol×K | 667.32 | Joback Calculated Property |
| η | [0.0002011; 0.0030655] | Pa×s | [258.27; 485.77] |
|
| η | 0.0030655 | Pa×s | 258.27 | Joback Calculated Property |
| η | 0.0014558 | Pa×s | 296.19 | Joback Calculated Property |
| η | 0.0008186 | Pa×s | 334.10 | Joback Calculated Property |
| η | 0.0005177 | Pa×s | 372.02 | Joback Calculated Property |
| η | 0.0003563 | Pa×s | 409.94 | Joback Calculated Property |
| η | 0.0002612 | Pa×s | 447.85 | Joback Calculated Property |
| η | 0.0002011 | Pa×s | 485.77 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to 3Z-hexenyl-d2 proprionate.
Sources
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