- InChI
- InChI=1S/C10H20O3/c1-2-3-4-7-10(12)13-9-6-5-8-11/h11H,2-9H2,1H3
- InChI Key
- CXCIGAYDAQVVRU-UHFFFAOYSA-N
- Formula
- C10H20O3
- SMILES
- CCCCCC(=O)OCCCCO
- Molecular Weight1
- 188.27
- 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 | 0.8408 | Relay (1.0) Calculated Property | |
| ΔfG° | -413.87 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -725.13 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 30.11 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 80.66 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 9.77 | eV | Relay (1.0) Calculated Property |
| log10WS | -1.65 | Relay (1.0) Calculated Property | |
| logPoct/wat | 1.882 | Crippen Calculated Property | |
| McVol | 165.070 | ml/mol | McGowan Calculated Property |
| Pc | 2309.17 | kPa | Joback Calculated Property |
| I | [1666.00; 1666.00] |
|
|
| I | 1666.00 | NIST | |
| I | 1666.00 | NIST | |
| Tboil | 535.33 | K | Relay (1.0) Calculated Property |
| Tc | 719.04 | K | Relay (1.0) Calculated Property |
| Tfus | 263.29 | K | Relay (1.0) Calculated Property |
| Vc | 0.628 | m3/kmol | Relay (1.0) Calculated Property |
Correlations
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [246.46; 562.02] | 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 | 2.44980e+01 | |||
| Coefficient B | 9.33020e-01 | |||
| Coefficient C | -4.56000e-04 | |||
| Coefficient D | 6.05000e-08 | |||
| Coefficient E | 0.00000e+00 | |||
| Temperature range, min. | 273.00 | |||
| Temperature range, max. | 1000.00 | |||
| Cp,gas | 246.46 | J/mol×K | 273.00 | Calculated Property |
| Cp,gas | 300.19 | J/mol×K | 353.78 | Calculated Property |
| Cp,gas | 348.80 | J/mol×K | 434.56 | Calculated Property |
| Cp,gas | 392.49 | J/mol×K | 515.33 | Calculated Property |
| Cp,gas | 431.46 | J/mol×K | 596.11 | Calculated Property |
| Cp,gas | 465.88 | J/mol×K | 676.89 | Calculated Property |
| Cp,gas | 495.96 | J/mol×K | 757.67 | Calculated Property |
| Cp,gas | 521.88 | J/mol×K | 838.44 | Calculated Property |
| Cp,gas | 543.84 | J/mol×K | 919.22 | Calculated Property |
| Cp,gas | 562.02 | J/mol×K | 1000.00 | Calculated Property |
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| η | [0.0135778; 0.0001452] | Pa×s | [305.61; 520.25] |
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 | -1.52981e+01 | |||
| Coefficient B | 3.36135e+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. | 305.61 | |||
| Temperature range, max. | 520.25 | |||
| η | 0.0135778 | Pa×s | 305.61 | Calculated Property |
| η | 0.0061243 | Pa×s | 329.46 | Calculated Property |
| η | 0.0030758 | Pa×s | 353.31 | Calculated Property |
| η | 0.0016853 | Pa×s | 377.16 | Calculated Property |
| η | 0.0009920 | Pa×s | 401.01 | Calculated Property |
| η | 0.0006196 | Pa×s | 424.85 | Calculated Property |
| η | 0.0004069 | Pa×s | 448.70 | Calculated Property |
| η | 0.0002788 | Pa×s | 472.55 | Calculated Property |
| η | 0.0001981 | Pa×s | 496.40 | Calculated Property |
| η | 0.0001452 | Pa×s | 520.25 | Calculated Property |
Similar Compounds
Find more compounds similar to 4-hydroxybutyl hexanoate.
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