- InChI
- InChI=1S/C30H48O2/c1-19-10-15-30(18-31)17-16-28(6)21(25(30)20(19)2)8-9-23-27(5)13-12-24(32)26(3,4)22(27)11-14-29(23,28)7/h8,18-20,22-25,32H,9-17H2,1-7H3
- InChI Key
- VLFUANNVMXKBPF-UHFFFAOYSA-N
- Formula
- C30H48O2
- SMILES
-
CC1CCC2(C=O)CCC3(C)C(=CCC4C5(C
)CCC(O)C(C)(C)C5CCC43C)C2C1C - Molecular Weight1
- 440.70
- CAS
- 19132-81-1
- 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 | 0.6384 | Relay (1.0) Calculated Property | |
| ΔfG° | 131.05 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -560.77 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 31.58 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 149.36 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 8.08 | eV | Relay (1.0) Calculated Property |
| log10WS | -6.59 | Relay (1.0) Calculated Property | |
| logPoct/wat | 7.204 | Crippen Calculated Property | |
| McVol | 382.400 | ml/mol | McGowan Calculated Property |
| Pc | 1068.66 | kPa | Joback Calculated Property |
| Inp | [3615.50; 3615.50] |
|
|
| Inp | 3615.50 | NIST | |
| Inp | 3615.50 | NIST | |
| Tboil | 715.17 | K | Relay (1.0) Calculated Property |
| Tc | 1044.26 | K | Relay (1.0) Calculated Property |
| Tfus | 483.11 | K | Relay (1.0) Calculated Property |
| Vc | 1.377 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [1619.57; 2093.54] | J/mol×K | [1067.55; 1313.80] |
|
| Cp,gas | 1619.57 | J/mol×K | 1067.55 | Joback Calculated Property |
| Cp,gas | 1680.76 | J/mol×K | 1108.59 | Joback Calculated Property |
| Cp,gas | 1747.99 | J/mol×K | 1149.63 | Joback Calculated Property |
| Cp,gas | 1822.08 | J/mol×K | 1190.67 | Joback Calculated Property |
| Cp,gas | 1903.83 | J/mol×K | 1231.71 | Joback Calculated Property |
| Cp,gas | 1994.05 | J/mol×K | 1272.76 | Joback Calculated Property |
| Cp,gas | 2093.54 | J/mol×K | 1313.80 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Ursolic aldehyde.
Sources
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