- InChI
- InChI=1S/C25H35NO5/c1-16(23(27)22-19-12-8-11-18(19)15-20(22)24(28)30-3)26(2)21(25(29)31-4)14-13-17-9-6-5-7-10-17/h5-7,9-10,16,18-22H,8,11-15H2,1-4H3/t16-,18-,19-,20+,21-,22?/m1/s1
- InChI Key
- ONQATEOHSLCLEF-SLMGIOGOSA-N
- Formula
- C25H35NO5
- SMILES
-
COC(=O)C1CC2CCCC2C1C(=O)C(C)N(
C)C(CCc1ccccc1)C(=O)OC - Molecular Weight1
- 429.55
- 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 | 0.7764 | Relay (1.0) Calculated Property | |
| ΔfG° | -136.95 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -848.98 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 51.91 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 128.50 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 7.86 | eV | Relay (1.0) Calculated Property |
| log10WS | -3.11 | Relay (1.0) Calculated Property | |
| logPoct/wat | 3.276 | Crippen Calculated Property | |
| McVol | 344.060 | ml/mol | McGowan Calculated Property |
| Pc | 1210.67 | kPa | Joback Calculated Property |
| Inp | [2865.00; 2865.00] |
|
|
| Inp | 2865.00 | NIST | |
| Inp | 2865.00 | NIST | |
| Tboil | 693.92 | K | Relay (1.0) Calculated Property |
| Tc | 964.24 | K | Relay (1.0) Calculated Property |
| Tfus | 399.84 | K | Relay (1.0) Calculated Property |
| Vc | 1.201 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [1222.47; 1293.83] | J/mol×K | [1028.77; 1262.90] |
|
| Cp,gas | 1222.47 | J/mol×K | 1028.77 | Joback Calculated Property |
| Cp,gas | 1237.85 | J/mol×K | 1067.79 | Joback Calculated Property |
| Cp,gas | 1251.69 | J/mol×K | 1106.81 | Joback Calculated Property |
| Cp,gas | 1264.11 | J/mol×K | 1145.84 | Joback Calculated Property |
| Cp,gas | 1275.20 | J/mol×K | 1184.86 | Joback Calculated Property |
| Cp,gas | 1285.07 | J/mol×K | 1223.88 | Joback Calculated Property |
| Cp,gas | 1293.83 | J/mol×K | 1262.90 | Joback Calculated Property |
Similar Compounds
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Sources
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