- InChI
- InChI=1S/C7H16O3/c1-2-3-4-10-6-7(9)5-8/h7-9H,2-6H2,1H3
- InChI Key
- JCYHHICXJAGYEL-UHFFFAOYSA-N
- Formula
- C7H16O3
- SMILES
- CCCCOCC(O)CO
- Molecular Weight1
- 148.13
- 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 | 0.7946 | Relay (1.0) Calculated Property | |
| ΔfG° | -373.02 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -643.25 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 19.73 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 85.27 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 9.83 | eV | Relay (1.0) Calculated Property |
| log10WS | -0.25 | Relay (1.0) Calculated Property | |
| logPoct/wat | 0.015 | NCMS SOLV-DB | |
| McVol | 127.100 | ml/mol | McGowan Calculated Property |
| Pc | 3399.94 | kPa | Joback Calculated Property |
| Tboil | 520.03 | K | Relay (1.0) Calculated Property |
| Tc | 711.26 | K | Relay (1.0) Calculated Property |
| Tfus | 249.90 | K | Relay (1.0) Calculated Property |
| Vc | 0.472 | m3/kmol | Relay (1.0) Calculated Property |
Correlations
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [194.07; 436.85] | 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 | 3.09250e+01 | |||
| Coefficient B | 6.79520e-01 | |||
| Coefficient C | -3.10000e-04 | |||
| Coefficient D | 3.64000e-08 | |||
| Coefficient E | 0.00000e+00 | |||
| Temperature range, min. | 273.00 | |||
| Temperature range, max. | 1000.00 | |||
| Cp,gas | 194.07 | J/mol×K | 273.00 | Calculated Property |
| Cp,gas | 234.14 | J/mol×K | 353.78 | Calculated Property |
| Cp,gas | 270.66 | J/mol×K | 434.56 | Calculated Property |
| Cp,gas | 303.76 | J/mol×K | 515.33 | Calculated Property |
| Cp,gas | 333.55 | J/mol×K | 596.11 | Calculated Property |
| Cp,gas | 360.14 | J/mol×K | 676.89 | Calculated Property |
| Cp,gas | 383.65 | J/mol×K | 757.67 | Calculated Property |
| Cp,gas | 404.19 | J/mol×K | 838.44 | Calculated Property |
| Cp,gas | 421.89 | J/mol×K | 919.22 | Calculated Property |
| Cp,gas | 436.84 | J/mol×K | 1000.00 | Calculated Property |
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| η | [0.0564359; 0.0000970] | Pa×s | [297.52; 508.20] |
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 | -1.82304e+01 | |||
| Coefficient B | 4.56865e+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. | 297.52 | |||
| Temperature range, max. | 508.20 | |||
| η | 0.0564359 | Pa×s | 297.52 | Calculated Property |
| η | 0.0184126 | Pa×s | 320.93 | Calculated Property |
| η | 0.0069954 | Pa×s | 344.34 | Calculated Property |
| η | 0.0030062 | Pa×s | 367.75 | Calculated Property |
| η | 0.0014293 | Pa×s | 391.16 | Calculated Property |
| η | 0.0007391 | Pa×s | 414.57 | Calculated Property |
| η | 0.0004101 | Pa×s | 437.97 | Calculated Property |
| η | 0.0002416 | Pa×s | 461.38 | Calculated Property |
| η | 0.0001498 | Pa×s | 484.79 | Calculated Property |
| η | 0.0000970 | Pa×s | 508.20 | Calculated Property |
Similar Compounds
Find more compounds similar to 1,2-Propanediol, 3-butoxy-.
Sources
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