- InChI
- InChI=1S/C25H46O3/c1-3-5-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-24-28-25(26)27-23-6-4-2/h3,5,7-24H2,1-2H3
- InChI Key
- MNDFUBOBECJYKH-UHFFFAOYSA-N
- Formula
- C25H46O3
- SMILES
-
CC#CCOC(=O)OCCCCCCCCCCCCCCCCCC
CC - Molecular Weight1
- 394.63
- 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 | 1.1032 | Relay (1.0) Calculated Property | |
| ΔfG° | 23.50 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -768.91 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 67.60 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 131.26 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 9.72 | eV | Relay (1.0) Calculated Property |
| log10WS | -8.47 | Relay (1.0) Calculated Property | |
| logPoct/wat | 8.205 | Crippen Calculated Property | |
| McVol | 367.820 | ml/mol | McGowan Calculated Property |
| Pc | 850.48 | kPa | Joback Calculated Property |
| Inp | [2817.00; 2817.00] |
|
|
| Inp | 2817.00 | NIST | |
| Inp | 2817.00 | NIST | |
| Tboil | 641.66 | K | Relay (1.0) Calculated Property |
| Tc | 816.15 | K | Relay (1.0) Calculated Property |
| Tfus | 320.40 | K | Relay (1.0) Calculated Property |
| Vc | 1.408 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [1204.11; 1309.52] | J/mol×K | [879.11; 1076.28] |
|
| Cp,gas | 1204.11 | J/mol×K | 879.11 | Joback Calculated Property |
| Cp,gas | 1224.83 | J/mol×K | 911.97 | Joback Calculated Property |
| Cp,gas | 1244.24 | J/mol×K | 944.83 | Joback Calculated Property |
| Cp,gas | 1262.39 | J/mol×K | 977.69 | Joback Calculated Property |
| Cp,gas | 1279.30 | J/mol×K | 1010.56 | Joback Calculated Property |
| Cp,gas | 1295.00 | J/mol×K | 1043.42 | Joback Calculated Property |
| Cp,gas | 1309.52 | J/mol×K | 1076.28 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Carbonic acid, but-2-yn-1-yl eicosyl ester.
Sources
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