- InChI
- InChI=1S/C18H34O4/c19-17(20)15-13-11-9-7-5-3-1-2-4-6-8-10-12-14-16-18(21)22/h1-16H2,(H,19,20)(H,21,22)
- InChI Key
- BNJOQKFENDDGSC-UHFFFAOYSA-N
- Formula
- C18H34O4
- SMILES
- O=C(O)CCCCCCCCCCCCCCCCC(=O)O
- Molecular Weight1
- 314.46
- CAS
- 871-70-5
- Other Names
-
- Hexadecanedicarboxylic acid
- 1,16-Hexadecanedicarboxylic acid
- 1,18-Octadecadioic acid
- 1,18-Octadecanedioic 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 | 1.2855 | Relay (1.0) Calculated Property | |
| ΔfG° | -430.80 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -1080.78 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 53.75 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 158.30 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 9.88 | eV | Relay (1.0) Calculated Property |
| log10WS | -5.18 | Relay (1.0) Calculated Property | |
| logPoct/wat | 5.397 | Crippen Calculated Property | |
| McVol | 279.360 | ml/mol | McGowan Calculated Property |
| Pc | 1439.16 | kPa | Joback Calculated Property |
| Tboil | 612.75 | K | Relay (1.0) Calculated Property |
| Tc | 840.60 | K | Relay (1.0) Calculated Property |
| Tfus | 398.10 ± 1.20 | K | NIST |
| Vc | 1.076 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [922.85; 1000.75] | J/mol×K | [903.34; 1108.58] | 
|
| Cp,gas | 922.85 | J/mol×K | 903.34 | Joback Calculated Property |
| Cp,gas | 938.03 | J/mol×K | 937.55 | Joback Calculated Property |
| Cp,gas | 952.27 | J/mol×K | 971.75 | Joback Calculated Property |
| Cp,gas | 965.61 | J/mol×K | 1005.96 | Joback Calculated Property |
| Cp,gas | 978.10 | J/mol×K | 1040.17 | Joback Calculated Property |
| Cp,gas | 989.80 | J/mol×K | 1074.37 | Joback Calculated Property |
| Cp,gas | 1000.75 | J/mol×K | 1108.58 | Joback Calculated Property |
| η | [0.0000026; 0.0003702] | Pa×s | [514.12; 903.34] |
|
| η | 0.0003702 | Pa×s | 514.12 | Joback Calculated Property |
| η | 0.0001015 | Pa×s | 578.99 | Joback Calculated Property |
| η | 0.0000361 | Pa×s | 643.86 | Joback Calculated Property |
| η | 0.0000155 | Pa×s | 708.73 | Joback Calculated Property |
| η | 0.0000077 | Pa×s | 773.60 | Joback Calculated Property |
| η | 0.0000043 | Pa×s | 838.47 | Joback Calculated Property |
| η | 0.0000026 | Pa×s | 903.34 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Octadecanedioic acid.
Sources
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