- InChI
- InChI=1S/C8H16O3/c1-2-3-4-5-8(10)11-7-6-9/h9H,2-7H2,1H3
- InChI Key
- JUVBNUWZRZREEE-UHFFFAOYSA-N
- Formula
- C8H16O3
- SMILES
- CCCCCC(=O)OCCO
- Molecular Weight1
- 160.21
- 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).
- Inp : Non-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 | 0.7740 | Relay (1.0) Calculated Property | |
| ΔfG° | -430.71 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -695.60 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 24.93 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 70.25 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 10.04 | eV | Relay (1.0) Calculated Property |
| log10WS | -1.13 | Relay (1.0) Calculated Property | |
| logPoct/wat | 1.102 | Crippen Calculated Property | |
| McVol | 136.890 | ml/mol | McGowan Calculated Property |
| Pc | 2802.44 | kPa | Joback Calculated Property |
| Inp | [1194.00; 1194.00] |
|
|
| Inp | 1194.00 | NIST | |
| Inp | 1194.00 | NIST | |
| Tboil | 502.50 | K | Relay (1.0) Calculated Property |
| Tc | 695.81 | K | Relay (1.0) Calculated Property |
| Tfus | 249.83 | K | Relay (1.0) Calculated Property |
| Vc | 0.517 | m3/kmol | Relay (1.0) Calculated Property |
Correlations
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [204.03; 458.84] | 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 | 2.63160e+01 | |||
| Coefficient B | 7.43020e-01 | |||
| Coefficient C | -3.47200e-04 | |||
| Coefficient D | 3.67000e-08 | |||
| Coefficient E | 0.00000e+00 | |||
| Temperature range, min. | 273.00 | |||
| Temperature range, max. | 1000.00 | |||
| Cp,gas | 204.03 | J/mol×K | 273.00 | Calculated Property |
| Cp,gas | 247.35 | J/mol×K | 353.78 | Calculated Property |
| Cp,gas | 286.65 | J/mol×K | 434.56 | Calculated Property |
| Cp,gas | 322.04 | J/mol×K | 515.33 | Calculated Property |
| Cp,gas | 353.64 | J/mol×K | 596.11 | Calculated Property |
| Cp,gas | 381.56 | J/mol×K | 676.89 | Calculated Property |
| Cp,gas | 405.93 | J/mol×K | 757.67 | Calculated Property |
| Cp,gas | 426.85 | J/mol×K | 838.44 | Calculated Property |
| Cp,gas | 444.45 | J/mol×K | 919.22 | Calculated Property |
| Cp,gas | 458.84 | J/mol×K | 1000.00 | Calculated Property |
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| η | [0.0212341; 0.0001885] | Pa×s | [283.07; 489.28] |
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 | -1.50615e+01 | |||
| Coefficient B | 3.17303e+03 | |||
| Coefficient C | 0.00000e+00 | |||
| Coefficient D | 0.00000e+00 | |||
| Coefficient E | 0.00000e+00 | |||
| Temperature range, min. | 283.07 | |||
| Temperature range, max. | 489.28 | |||
| η | 0.0212341 | Pa×s | 283.07 | Calculated Property |
| η | 0.0091729 | Pa×s | 305.98 | Calculated Property |
| η | 0.0044542 | Pa×s | 328.89 | Calculated Property |
| η | 0.0023763 | Pa×s | 351.81 | Calculated Property |
| η | 0.0013690 | Pa×s | 374.72 | Calculated Property |
| η | 0.0008404 | Pa×s | 397.63 | Calculated Property |
| η | 0.0005441 | Pa×s | 420.54 | Calculated Property |
| η | 0.0003684 | Pa×s | 443.45 | Calculated Property |
| η | 0.0002592 | Pa×s | 466.37 | Calculated Property |
| η | 0.0001885 | Pa×s | 489.28 | Calculated Property |
Similar Compounds
Find more compounds similar to 2-Hydroxyethyl caproate.
Sources
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