- InChI
- InChI=1S/C24H32O3/c1-3-4-5-6-23(26)27-17-8-10-18-16(15-17)7-9-20-19(18)13-14-24(2)21(20)11-12-22(24)25/h8,10,15,19-21H,3-7,9,11-14H2,1-2H3
- InChI Key
- KAUHLUBURUDAPE-UHFFFAOYSA-N
- Formula
- C24H32O3
- SMILES
-
CCCCCC(=O)Oc1ccc2c(c1)CCC1C2CC
C2(C)C(=O)CCC12 - Molecular Weight1
- 368.51
- 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).
- 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 |
|---|---|---|---|
| ΔfG° | 32.69 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -506.62 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 38.45 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 84.64 | kJ/mol | Joback Calculated Property |
| log10WS | -6.62 | Crippen Calculated Property | |
| logPoct/wat | 5.597 | Crippen Calculated Property | |
| McVol | 301.690 | ml/mol | McGowan Calculated Property |
| Pc | 1384.02 | kPa | Joback Calculated Property |
| Inp | [2636.00; 2636.00] |
|
|
| Inp | 2636.00 | NIST | |
| Inp | 2636.00 | NIST | |
| Tboil | 953.60 | K | Joback Calculated Property |
| Tc | 1191.07 | K | Joback Calculated Property |
| Tfus | 618.52 | K | Joback Calculated Property |
| Vc | 1.155 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [1069.65; 1205.07] | J/mol×K | [953.60; 1191.07] |
|
| Cp,gas | 1069.65 | J/mol×K | 953.60 | Joback Calculated Property |
| Cp,gas | 1092.43 | J/mol×K | 993.18 | Joback Calculated Property |
| Cp,gas | 1114.84 | J/mol×K | 1032.76 | Joback Calculated Property |
| Cp,gas | 1137.09 | J/mol×K | 1072.33 | Joback Calculated Property |
| Cp,gas | 1159.40 | J/mol×K | 1111.91 | Joback Calculated Property |
| Cp,gas | 1181.99 | J/mol×K | 1151.49 | Joback Calculated Property |
| Cp,gas | 1205.07 | J/mol×K | 1191.07 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Estrone, hexanoate.
Sources
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