- InChI
- InChI=1S/C10H20O2/c1-3-5-6-7-8-9-10(11)12-4-2/h3-9H2,1-2H3/i1D3,3D2,5D2,6D2,7D2,8D2,9D2
- InChI Key
- YYZUSRORWSJGET-MVIIYOROSA-N
- Formula
- C10H5D15O2
- SMILES
- CCCCCCCC(=O)OCC
- Molecular Weight1
- 187.36
- 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 | 0.6055 | Relay (1.0) Calculated Property | |
| ΔfG° | -277.05 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -576.58 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 26.03 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 59.60 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 9.60 | eV | Relay (1.0) Calculated Property |
| log10WS | -3.33 | Relay (1.0) Calculated Property | |
| logPoct/wat | 2.910 | Crippen Calculated Property | |
| McVol | 159.200 | ml/mol | McGowan Calculated Property |
| Pc | 2117.78 | kPa | Joback Calculated Property |
| I | [1423.00; 1423.00] |
|
|
| I | 1423.00 | NIST | |
| I | 1423.00 | NIST | |
| Tboil | 469.27 | K | Relay (1.0) Calculated Property |
| Tc | 655.55 | K | Relay (1.0) Calculated Property |
| Tfus | 231.34 | K | Relay (1.0) Calculated Property |
| Vc | 0.623 | m3/kmol | Relay (1.0) Calculated Property |
Correlations
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [233.96; 543.35] | J/mol×K | [273.00; 1000.00] |
Joback Predicted correlation
|
| Equation | Y = A + B·T + C·T² + D·T³ + E·T⁴ Y is Cp,gas in J/mol×K, T in K | |||
| Coefficient A | 1.92070e+01 | |||
| Coefficient B | 8.99040e-01 | |||
| Coefficient C | -4.25600e-04 | |||
| Coefficient D | 5.07000e-08 | |||
| Coefficient E | 0.00000e+00 | |||
| Temperature range, min. | 273.00 | |||
| Temperature range, max. | 1000.00 | |||
| Cp,gas | 233.96 | J/mol×K | 273.00 | Calculated Property |
| Cp,gas | 286.24 | J/mol×K | 353.78 | Calculated Property |
| Cp,gas | 333.68 | J/mol×K | 434.56 | Calculated Property |
| Cp,gas | 376.42 | J/mol×K | 515.33 | Calculated Property |
| Cp,gas | 414.64 | J/mol×K | 596.11 | Calculated Property |
| Cp,gas | 448.48 | J/mol×K | 676.89 | Calculated Property |
| Cp,gas | 478.11 | J/mol×K | 757.67 | Calculated Property |
| Cp,gas | 503.69 | J/mol×K | 838.44 | Calculated Property |
| Cp,gas | 525.38 | J/mol×K | 919.22 | Calculated Property |
| Cp,gas | 543.35 | J/mol×K | 1000.00 | Calculated Property |
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| η | [0.0058393; 0.0002549] | Pa×s | [244.79; 459.21] |
Joback Predicted correlation
|
| Equation | Y = exp(A + B/T + C·ln(T) + D·T^E) Y is η in Pa×s, T in K | |||
| Coefficient A | -1.18499e+01 | |||
| Coefficient B | 1.64176e+03 | |||
| Coefficient C | 0.00000e+00 | |||
| Coefficient D | 0.00000e+00 | |||
| Coefficient E | 0.00000e+00 | |||
| Temperature range, min. | 244.79 | |||
| Temperature range, max. | 459.21 | |||
| η | 0.0058393 | Pa×s | 244.79 | Calculated Property |
| η | 0.0032212 | Pa×s | 268.61 | Calculated Property |
| η | 0.0019578 | Pa×s | 292.44 | Calculated Property |
| η | 0.0012827 | Pa×s | 316.26 | Calculated Property |
| η | 0.0008916 | Pa×s | 340.09 | Calculated Property |
| η | 0.0006500 | Pa×s | 363.91 | Calculated Property |
| η | 0.0004926 | Pa×s | 387.74 | Calculated Property |
| η | 0.0003856 | Pa×s | 411.56 | Calculated Property |
| η | 0.0003099 | Pa×s | 435.38 | Calculated Property |
| η | 0.0002549 | Pa×s | 459.21 | Calculated Property |
Similar Compounds
Find more compounds similar to ethyl octanoate-d15.
Sources
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