- InChI
- InChI=1S/C11H22O2/c1-3-5-7-8-9-11(12)13-10-6-4-2/h3-10H2,1-2H3/i1D3,3D2,5D2,7D2,8D2,9D2
- InChI Key
- YPQSPODHFDGVAC-DMMZKVCBSA-N
- Formula
- C11H9D13O2
- SMILES
- CCCCCCC(=O)OCCCC
- Molecular Weight1
- 199.37
- 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 | 0.6565 | Relay (1.0) Calculated Property | |
| ΔfG° | -192.18 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -592.08 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 27.03 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 59.83 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 9.63 | eV | Relay (1.0) Calculated Property |
| log10WS | -3.55 | Relay (1.0) Calculated Property | |
| logPoct/wat | 3.300 | Crippen Calculated Property | |
| McVol | 173.290 | ml/mol | McGowan Calculated Property |
| Pc | 2014.51 | kPa | Joback Calculated Property |
| I | 1498.00 | NIST | |
| Tboil | 490.21 | K | Relay (1.0) Calculated Property |
| Tc | 670.10 | K | Relay (1.0) Calculated Property |
| Tfus | 218.56 | K | Relay (1.0) Calculated Property |
| Vc | 0.672 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [415.24; 496.57] | J/mol×K | [527.37; 698.36] | 
|
| Cp,gas | 415.24 | J/mol×K | 527.37 | Joback Calculated Property |
| Cp,gas | 430.19 | J/mol×K | 555.87 | Joback Calculated Property |
| Cp,gas | 444.58 | J/mol×K | 584.37 | Joback Calculated Property |
| Cp,gas | 458.41 | J/mol×K | 612.87 | Joback Calculated Property |
| Cp,gas | 471.67 | J/mol×K | 641.36 | Joback Calculated Property |
| Cp,gas | 484.39 | J/mol×K | 669.86 | Joback Calculated Property |
| Cp,gas | 496.57 | J/mol×K | 698.36 | Joback Calculated Property |
| η | [0.0002056; 0.0032030] | Pa×s | [285.89; 527.37] |
|
| η | 0.0032030 | Pa×s | 285.89 | Joback Calculated Property |
| η | 0.0015281 | Pa×s | 326.14 | Joback Calculated Property |
| η | 0.0008577 | Pa×s | 366.38 | Joback Calculated Property |
| η | 0.0005398 | Pa×s | 406.63 | Joback Calculated Property |
| η | 0.0003692 | Pa×s | 446.88 | Joback Calculated Property |
| η | 0.0002689 | Pa×s | 487.12 | Joback Calculated Property |
| η | 0.0002056 | Pa×s | 527.37 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to butyl heptanoate-d13.
Sources
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