- InChI
- InChI=1S/C10H22O2/c1-2-3-4-5-6-10(9-12)7-8-11/h10-12H,2-9H2,1H3
- InChI Key
- WOEATUVURMLOMG-UHFFFAOYSA-N
- Formula
- C10H22O2
- SMILES
- CCCCCCC(CO)CCO
- Molecular Weight1
- 174.28
- 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).
- 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 | 0.8413 | Relay (1.0) Calculated Property | |
| ΔfG° | -242.76 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -524.60 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 26.31 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 99.67 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 9.64 | eV | Relay (1.0) Calculated Property |
| log10WS | -2.54 | Relay (1.0) Calculated Property | |
| logPoct/wat | 1.948 | Crippen Calculated Property | |
| McVol | 163.500 | ml/mol | McGowan Calculated Property |
| Pc | 2535.37 | kPa | Joback Calculated Property |
| Tboil | 542.51 | K | Relay (1.0) Calculated Property |
| Tc | 736.07 | K | Relay (1.0) Calculated Property |
| Tfus | 267.45 | K | Relay (1.0) Calculated Property |
| Vc | 0.587 | m3/kmol | Relay (1.0) Calculated Property |
Correlations
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [242.31; 573.12] | 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 | 2.69800e+00 | |||
| Coefficient B | 1.02772e+00 | |||
| Coefficient C | -5.84200e-04 | |||
| Coefficient D | 1.26900e-07 | |||
| Coefficient E | 0.00000e+00 | |||
| Temperature range, min. | 273.00 | |||
| Temperature range, max. | 1000.00 | |||
| Cp,gas | 242.31 | J/mol×K | 273.00 | Calculated Property |
| Cp,gas | 298.78 | J/mol×K | 353.78 | Calculated Property |
| Cp,gas | 349.39 | J/mol×K | 434.56 | Calculated Property |
| Cp,gas | 394.54 | J/mol×K | 515.33 | Calculated Property |
| Cp,gas | 434.62 | J/mol×K | 596.11 | Calculated Property |
| Cp,gas | 470.04 | J/mol×K | 676.89 | Calculated Property |
| Cp,gas | 501.20 | J/mol×K | 757.67 | Calculated Property |
| Cp,gas | 528.49 | J/mol×K | 838.44 | Calculated Property |
| Cp,gas | 552.33 | J/mol×K | 919.22 | Calculated Property |
| Cp,gas | 573.12 | J/mol×K | 1000.00 | Calculated Property |
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| η | [0.0507965; 0.0000731] | Pa×s | [309.10; 540.16] |
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 | -1.82793e+01 | |||
| Coefficient B | 4.72904e+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. | 309.10 | |||
| Temperature range, max. | 540.16 | |||
| η | 0.0507965 | Pa×s | 309.10 | Calculated Property |
| η | 0.0157141 | Pa×s | 334.77 | Calculated Property |
| η | 0.0057455 | Pa×s | 360.45 | Calculated Property |
| η | 0.0024015 | Pa×s | 386.12 | Calculated Property |
| η | 0.0011191 | Pa×s | 411.79 | Calculated Property |
| η | 0.0005704 | Pa×s | 437.46 | Calculated Property |
| η | 0.0003133 | Pa×s | 463.14 | Calculated Property |
| η | 0.0001832 | Pa×s | 488.81 | Calculated Property |
| η | 0.0001131 | Pa×s | 514.48 | Calculated Property |
| η | 0.0000731 | Pa×s | 540.16 | Calculated Property |
Similar Compounds
Find more compounds similar to 1,4-Butanediol, 2-hexyl-.
Sources
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