- InChI
- InChI=1S/C36H74/c1-4-7-10-13-16-19-22-25-28-31-34-36(33-30-27-24-21-18-15-12-9-6-3)35-32-29-26-23-20-17-14-11-8-5-2/h36H,4-35H2,1-3H3
- InChI Key
- ZBOLLHDWYFHOST-UHFFFAOYSA-N
- Formula
- C36H74
- SMILES
-
CCCCCCCCCCCCC(CCCCCCCCCCC)CCCC
CCCCCCCC - Molecular Weight1
- 506.97
- CAS
- 55517-89-0
- Other Names
-
- 13-Undecylpentacosane
- 13-n-Undecylpentacosane
- 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).
- ΔvapH : Enthalpy of vaporization at a given temperature (kJ/mol).
- 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).
- Pvap : Vapor 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 |
|---|---|---|---|
| ΔfG° | 249.80 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -791.65 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 85.47 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 95.34 | kJ/mol | Joback Calculated Property |
| log10WS | -14.65 | Crippen Calculated Property | |
| logPoct/wat | 14.146 | Crippen Calculated Property | |
| McVol | 518.100 | ml/mol | McGowan Calculated Property |
| Pc | 459.31 | kPa | Joback Calculated Property |
| Tboil | 1022.64 | K | Joback Calculated Property |
| Tc | 1304.31 | K | Joback Calculated Property |
| Tfus | 282.90 ± 1.00 | K | NIST |
| Vc | 2.046 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [1895.00; 2069.95] | J/mol×K | [1022.64; 1304.31] | 
|
| Cp,gas | 1895.00 | J/mol×K | 1022.64 | Joback Calculated Property |
| Cp,gas | 1929.92 | J/mol×K | 1069.59 | Joback Calculated Property |
| Cp,gas | 1962.18 | J/mol×K | 1116.53 | Joback Calculated Property |
| Cp,gas | 1992.06 | J/mol×K | 1163.48 | Joback Calculated Property |
| Cp,gas | 2019.81 | J/mol×K | 1210.42 | Joback Calculated Property |
| Cp,gas | 2045.68 | J/mol×K | 1257.37 | Joback Calculated Property |
| Cp,gas | 2069.95 | J/mol×K | 1304.31 | Joback Calculated Property |
| η | [0.0000087; 0.0005358] | Pa×s | [480.48; 1022.64] |
|
| η | 0.0005358 | Pa×s | 480.48 | Joback Calculated Property |
| η | 0.0001564 | Pa×s | 570.84 | Joback Calculated Property |
| η | 0.0000639 | Pa×s | 661.20 | Joback Calculated Property |
| η | 0.0000324 | Pa×s | 751.56 | Joback Calculated Property |
| η | 0.0000190 | Pa×s | 841.92 | Joback Calculated Property |
| η | 0.0000123 | Pa×s | 932.28 | Joback Calculated Property |
| η | 0.0000087 | Pa×s | 1022.64 | Joback Calculated Property |
| ΔvapH | 132.90 | kJ/mol | 564.00 | NIST |
Correlations
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Pvap | [1.33; 202.65] | kPa | [596.12; 807.52] |
The Yaw...
|
| Equation | ln(Pvp) = A + B/(T + C) | |||
| Coefficient A | 1.57886e+01 | |||
| Coefficient B | -6.83390e+03 | |||
| Coefficient C | -1.55252e+02 | |||
| Temperature range, min. | 596.12 | |||
| Temperature range, max. | 807.52 | |||
| Pvap | 1.33 | kPa | 596.12 | Calculated Property |
| Pvap | 2.92 | kPa | 619.61 | Calculated Property |
| Pvap | 5.93 | kPa | 643.10 | Calculated Property |
| Pvap | 11.29 | kPa | 666.59 | Calculated Property |
| Pvap | 20.30 | kPa | 690.08 | Calculated Property |
| Pvap | 34.75 | kPa | 713.56 | Calculated Property |
| Pvap | 56.97 | kPa | 737.05 | Calculated Property |
| Pvap | 89.87 | kPa | 760.54 | Calculated Property |
| Pvap | 137.01 | kPa | 784.03 | Calculated Property |
| Pvap | 202.65 | kPa | 807.52 | Calculated Property |
Similar Compounds
Find more compounds similar to Pentacosane, 13-undecyl-.
Sources
- Crippen Method
- Crippen Method
- Joback Method
- McGowan Method
- NIST Webbook
- The Yaws Handbook of Vapor Pressure
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