- InChI
- InChI=1S/C28H52O2/c1-3-5-7-9-11-13-14-15-16-17-18-19-21-23-25-27-30-28(29)26-24-22-20-12-10-8-6-4-2/h2H,3,5-27H2,1H3
- InChI Key
- UCTUWLQBNDCKIQ-UHFFFAOYSA-N
- Formula
- C28H52O2
- SMILES
-
C#CCCCCCCCCC(=O)OCCCCCCCCCCCCC
CCCC - Molecular Weight1
- 420.71
- ω : Acentric Factor.
- Cp,gas : Ideal gas heat capacity (J/mol×K).
- 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 | 1.1665 | Relay (1.0) Calculated Property | |
| ΔfG° | 174.03 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -690.31 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 74.04 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 132.30 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 9.84 | eV | Relay (1.0) Calculated Property |
| log10WS | -8.95 | Relay (1.0) Calculated Property | |
| logPoct/wat | 9.155 | Crippen Calculated Property | |
| McVol | 404.220 | ml/mol | McGowan Calculated Property |
| Pc | 725.75 | kPa | Joback Calculated Property |
| Inp | [2903.00; 2903.00] |
|
|
| Inp | 2903.00 | NIST | |
| Inp | 2903.00 | NIST | |
| Tboil | 675.24 | K | Relay (1.0) Calculated Property |
| Tc | 847.00 | K | Relay (1.0) Calculated Property |
| Tfus | 335.72 | K | Relay (1.0) Calculated Property |
| Vc | 1.538 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [1354.81; 1472.24] | J/mol×K | [906.45; 1112.47] |
|
| Cp,gas | 1354.81 | J/mol×K | 906.45 | Joback Calculated Property |
| Cp,gas | 1377.60 | J/mol×K | 940.79 | Joback Calculated Property |
| Cp,gas | 1399.02 | J/mol×K | 975.12 | Joback Calculated Property |
| Cp,gas | 1419.13 | J/mol×K | 1009.46 | Joback Calculated Property |
| Cp,gas | 1437.98 | J/mol×K | 1043.80 | Joback Calculated Property |
| Cp,gas | 1455.67 | J/mol×K | 1078.13 | Joback Calculated Property |
| Cp,gas | 1472.24 | J/mol×K | 1112.47 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Undec-10-ynoic acid, heptadecyl ester.
Sources
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