- 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 |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [423.50; 490.89] | J/mol×K | [578.80; 743.21] |
|
| Cp,gas | 423.50 | J/mol×K | 578.80 | Joback Calculated Property |
| Cp,gas | 436.00 | J/mol×K | 606.20 | Joback Calculated Property |
| Cp,gas | 447.99 | J/mol×K | 633.60 | Joback Calculated Property |
| Cp,gas | 459.46 | J/mol×K | 661.01 | Joback Calculated Property |
| Cp,gas | 470.43 | J/mol×K | 688.41 | Joback Calculated Property |
| Cp,gas | 480.91 | J/mol×K | 715.81 | Joback Calculated Property |
| Cp,gas | 490.89 | J/mol×K | 743.21 | Joback Calculated Property |
| η | [0.0000756; 0.0135778] | Pa×s | [305.61; 578.80] |
|
| η | 0.0135778 | Pa×s | 305.61 | Joback Calculated Property |
| η | 0.0032617 | Pa×s | 351.14 | Joback Calculated Property |
| η | 0.0010870 | Pa×s | 396.67 | Joback Calculated Property |
| η | 0.0004543 | Pa×s | 442.20 | Joback Calculated Property |
| η | 0.0002234 | Pa×s | 487.74 | Joback Calculated Property |
| η | 0.0001240 | Pa×s | 533.27 | Joback Calculated Property |
| η | 0.0000756 | Pa×s | 578.80 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to 4-hydroxybutyl hexanoate.
Sources
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