- InChI
- InChI=1S/C15H28O4/c16-14(17)12-10-8-6-4-2-1-3-5-7-9-11-13-15(18)19/h1-13H2,(H,16,17)(H,18,19)
- InChI Key
- BTZVDPWKGXMQFW-UHFFFAOYSA-N
- Formula
- C15H28O4
- SMILES
- O=C(O)CCCCCCCCCCCCCC(=O)O
- Molecular Weight1
- 272.38
- Other Names
-
- 1,15-Pentadecanedioic acid
- Pentadecanedioic acid
- 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 | 1.1772 | Relay (1.0) Calculated Property | |
| ΔfG° | -612.40 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -1022.64 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 54.89 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 144.26 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 9.79 | eV | Relay (1.0) Calculated Property |
| log10WS | -4.24 | Relay (1.0) Calculated Property | |
| logPoct/wat | 4.227 | Crippen Calculated Property | |
| McVol | 237.090 | ml/mol | McGowan Calculated Property |
| Pc | 1625.91 | kPa | Joback Calculated Property |
| Tboil | 593.32 | K | Relay (1.0) Calculated Property |
| Tc | 823.21 | K | Relay (1.0) Calculated Property |
| Tfus | 387.15 | K | Jean-Claude Bradley Open Melting Point Dataset (2014, CC0) Compiled value |
| Vc | 0.921 | m3/kmol | Relay (1.0) Calculated Property |
Correlations
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [350.93; 814.75] | 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 | -1.54700e+00 | |||
| Coefficient B | 1.53040e+00 | |||
| Coefficient C | -9.37400e-04 | |||
| Coefficient D | 2.23300e-07 | |||
| Coefficient E | 0.00000e+00 | |||
| Temperature range, min. | 273.00 | |||
| Temperature range, max. | 1000.00 | |||
| Cp,gas | 350.93 | J/mol×K | 273.00 | Calculated Property |
| Cp,gas | 432.44 | J/mol×K | 353.78 | Calculated Property |
| Cp,gas | 504.80 | J/mol×K | 434.56 | Calculated Property |
| Cp,gas | 568.74 | J/mol×K | 515.33 | Calculated Property |
| Cp,gas | 624.94 | J/mol×K | 596.11 | Calculated Property |
| Cp,gas | 674.12 | J/mol×K | 676.89 | Calculated Property |
| Cp,gas | 716.99 | J/mol×K | 757.67 | Calculated Property |
| Cp,gas | 754.24 | J/mol×K | 838.44 | Calculated Property |
| Cp,gas | 786.60 | J/mol×K | 919.22 | Calculated Property |
| Cp,gas | 814.75 | J/mol×K | 1000.00 | Calculated Property |
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| η | [0.0073327; 0.0001494] | Pa×s | [387.15; 720.03] |
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 | -1.33378e+01 | |||
| Coefficient B | 3.26072e+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. | 387.15 | |||
| Temperature range, max. | 720.03 | |||
| η | 0.0073327 | Pa×s | 387.15 | Calculated Property |
| η | 0.0035179 | Pa×s | 424.14 | Calculated Property |
| η | 0.0018988 | Pa×s | 461.12 | Calculated Property |
| η | 0.0011232 | Pa×s | 498.11 | Calculated Property |
| η | 0.0007144 | Pa×s | 535.10 | Calculated Property |
| η | 0.0004818 | Pa×s | 572.08 | Calculated Property |
| η | 0.0003408 | Pa×s | 609.07 | Calculated Property |
| η | 0.0002509 | Pa×s | 646.05 | Calculated Property |
| η | 0.0001909 | Pa×s | 683.04 | Calculated Property |
| η | 0.0001494 | Pa×s | 720.03 | Calculated Property |
Similar Compounds
Find more compounds similar to PENTADECANEDIOC ACID.
Sources
- Jean-Claude Bradley Open Melting Point Dataset (2014, CC0) ChEDL chemicals 1.5.2, from Bradley, J.-C.; Williams, A.; Lang, A. Jean-Claude Bradley Open Melting Point Dataset. Figshare, 2014 (CC0).
- Cheméo Relay (1.0)
- Crippen Method
- Crippen Method
- Joback Method
- McGowan Method
- NIST Webbook
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