- InChI
- InChI=1S/C9H18O2/c1-3-5-6-7-8-11-9(10)4-2/h3-8H2,1-2H3/i1D3
- InChI Key
- GOKKOFHHJFGZHW-FIBGUPNXSA-N
- Formula
- C9H18O2
- SMILES
- [2H]C([2H])([2H])CCCCCOC(=O)CC
- Molecular Weight1
- 161.26
- 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).
- Ip : 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 | 0.6184 | Relay (1.0) Calculated Property | |
| ΔfG° | -285.47 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -750.66 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 23.43 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 55.24 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 10.24 | eV | Relay (1.0) Calculated Property |
| log10WS | -2.88 | Relay (1.0) Calculated Property | |
| logPoct/wat | 2.520 | Crippen Calculated Property | |
| McVol | 145.110 | ml/mol | McGowan Calculated Property |
| Pc | 2318.07 | kPa | Joback Calculated Property |
| Ip | [1334.00; 1334.00] |
|
|
| Ip | 1334.00 | NIST | |
| Ip | 1334.00 | NIST | |
| Tboil | 454.83 | K | Relay (1.0) Calculated Property |
| Tc | 780.68 | K | Relay (1.0) Calculated Property |
| Tfus | 240.94 | 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 | [212.74; 491.76] | 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 | 2.01160e+01 | |||
| Coefficient B | 8.04040e-01 | |||
| Coefficient C | -3.71200e-04 | |||
| Coefficient D | 3.88000e-08 | |||
| Coefficient E | 0.00000e+00 | |||
| Temperature range, min. | 273.00 | |||
| Temperature range, max. | 1000.00 | |||
| Cp,gas | 212.74 | J/mol×K | 273.00 | Calculated Property |
| Cp,gas | 259.83 | J/mol×K | 353.78 | Calculated Property |
| Cp,gas | 302.60 | J/mol×K | 434.56 | Calculated Property |
| Cp,gas | 341.20 | J/mol×K | 515.33 | Calculated Property |
| Cp,gas | 375.73 | J/mol×K | 596.11 | Calculated Property |
| Cp,gas | 406.32 | J/mol×K | 676.89 | Calculated Property |
| Cp,gas | 433.10 | J/mol×K | 757.67 | Calculated Property |
| Cp,gas | 456.18 | J/mol×K | 838.44 | Calculated Property |
| Cp,gas | 475.69 | J/mol×K | 919.22 | Calculated Property |
| Cp,gas | 491.76 | J/mol×K | 1000.00 | Calculated Property |
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| η | [0.0061598; 0.0002661] | Pa×s | [233.52; 444.03] |
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 | -1.17170e+01 | |||
| Coefficient B | 1.54760e+03 | |||
| Coefficient C | 0.00000e+00 | |||
| Coefficient D | 0.00000e+00 | |||
| Coefficient E | 0.00000e+00 | |||
| Comment | Liquid phase. Joback/Reid (1987), valid from Tf to 0.7·Tc. | |||
| Temperature range, min. | 233.52 | |||
| Temperature range, max. | 444.03 | |||
| η | 0.0061598 | Pa×s | 233.52 | Calculated Property |
| η | 0.0033692 | Pa×s | 256.91 | Calculated Property |
| η | 0.0020381 | Pa×s | 280.30 | Calculated Property |
| η | 0.0013321 | Pa×s | 303.69 | Calculated Property |
| η | 0.0009253 | Pa×s | 327.08 | Calculated Property |
| η | 0.0006747 | Pa×s | 350.47 | Calculated Property |
| η | 0.0005119 | Pa×s | 373.86 | Calculated Property |
| η | 0.0004011 | Pa×s | 397.25 | Calculated Property |
| η | 0.0003230 | Pa×s | 420.64 | Calculated Property |
| η | 0.0002661 | Pa×s | 444.03 | Calculated Property |
Similar Compounds
Find more compounds similar to hexyl-d3 proprionate.
Sources
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