- InChI
- InChI=1S/C29H60O2/c1-3-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-25-27-31-29-26-28-30-4-2/h3-29H2,1-2H3
- InChI Key
- DPJMBSVCDUJOCA-UHFFFAOYSA-N
- Formula
- C29H60O2
- SMILES
-
CCCCCCCCCCCCCCCCCCCCCCCCOCCCOC
C - Molecular Weight1
- 440.79
- 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 | 1.2630 | Relay (1.0) Calculated Property | |
| ΔfG° | -16.70 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -895.77 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 73.24 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 145.10 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 9.74 | eV | Relay (1.0) Calculated Property |
| log10WS | -9.41 | Relay (1.0) Calculated Property | |
| logPoct/wat | 10.032 | Crippen Calculated Property | |
| McVol | 431.210 | ml/mol | McGowan Calculated Property |
| Pc | 613.90 | kPa | Joback Calculated Property |
| Inp | [2970.00; 2970.00] |
|
|
| Inp | 2970.00 | NIST | |
| Inp | 2970.00 | NIST | |
| Tboil | 653.79 | K | Relay (1.0) Calculated Property |
| Tc | 828.32 | K | Relay (1.0) Calculated Property |
| Tfus | 297.90 | K | Relay (1.0) Calculated Property |
| Vc | 1.707 | m3/kmol | Relay (1.0) Calculated Property |
Correlations
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [651.49; 1552.47] | 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 | 2.75270e+01 | |||
| Coefficient B | 2.63244e+00 | |||
| Coefficient C | -1.33180e-03 | |||
| Coefficient D | 2.24300e-07 | |||
| Coefficient E | 0.00000e+00 | |||
| Temperature range, min. | 273.00 | |||
| Temperature range, max. | 1000.00 | |||
| Cp,gas | 651.49 | J/mol×K | 273.00 | Calculated Property |
| Cp,gas | 802.07 | J/mol×K | 353.78 | Calculated Property |
| Cp,gas | 938.38 | J/mol×K | 434.56 | Calculated Property |
| Cp,gas | 1061.12 | J/mol×K | 515.33 | Calculated Property |
| Cp,gas | 1171.01 | J/mol×K | 596.11 | Calculated Property |
| Cp,gas | 1268.76 | J/mol×K | 676.89 | Calculated Property |
| Cp,gas | 1355.07 | J/mol×K | 757.67 | Calculated Property |
| Cp,gas | 1430.65 | J/mol×K | 838.44 | Calculated Property |
| Cp,gas | 1496.21 | J/mol×K | 919.22 | Calculated Property |
| Cp,gas | 1552.47 | J/mol×K | 1000.00 | Calculated Property |
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| η | [0.0005153; 0.0000271] | Pa×s | [461.05; 785.84] |
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 | -1.46964e+01 | |||
| Coefficient B | 3.28526e+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. | 461.05 | |||
| Temperature range, max. | 785.84 | |||
| η | 0.0005153 | Pa×s | 461.05 | Calculated Property |
| η | 0.0003072 | Pa×s | 497.14 | Calculated Property |
| η | 0.0001964 | Pa×s | 533.23 | Calculated Property |
| η | 0.0001329 | Pa×s | 569.31 | Calculated Property |
| η | 0.0000942 | Pa×s | 605.40 | Calculated Property |
| η | 0.0000694 | Pa×s | 641.49 | Calculated Property |
| η | 0.0000529 | Pa×s | 677.58 | Calculated Property |
| η | 0.0000414 | Pa×s | 713.67 | Calculated Property |
| η | 0.0000331 | Pa×s | 749.75 | Calculated Property |
| η | 0.0000271 | Pa×s | 785.84 | Calculated Property |
Similar Compounds
Find more compounds similar to 1,3-Propanediol, ethyl tetracosyl ether.
Sources
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