- InChI
- InChI=1S/C10H16O/c1-5-4-6-7(10(6,2)3)9-8(5)11-9/h5-9H,4H2,1-3H3
- InChI Key
- KNHFDBGGSOSGEO-UHFFFAOYSA-N
- Formula
- C10H16O
- SMILES
- CC1CC2C(C3OC13)C2(C)C
- Molecular Weight1
- 152.23
- CAS
- 6909-20-2
- Other Names
-
- 4,5-Epoxycarene
- 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 | 0.3435 | Relay (1.0) Calculated Property | |
| ΔfG° | 112.93 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -109.42 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 23.05 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 52.72 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 9.23 | eV | Relay (1.0) Calculated Property |
| log10WS | -3.79 | Relay (1.0) Calculated Property | |
| logPoct/wat | 2.066 | Crippen Calculated Property | |
| McVol | 125.050 | ml/mol | McGowan Calculated Property |
| Pc | 2841.41 | kPa | Joback Calculated Property |
| Inp | [1179.00; 1179.00] |
|
|
| Inp | 1179.00 | NIST | |
| Inp | 1179.00 | NIST | |
| Tboil | 463.77 | K | Relay (1.0) Calculated Property |
| Tc | 700.16 | K | Relay (1.0) Calculated Property |
| Tfus | 369.10 | K | Relay (1.0) Calculated Property |
| Vc | 0.470 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [307.61; 403.00] | J/mol×K | [457.33; 662.18] |
|
| Cp,gas | 307.61 | J/mol×K | 457.33 | Joback Calculated Property |
| Cp,gas | 326.70 | J/mol×K | 491.47 | Joback Calculated Property |
| Cp,gas | 344.31 | J/mol×K | 525.61 | Joback Calculated Property |
| Cp,gas | 360.60 | J/mol×K | 559.76 | Joback Calculated Property |
| Cp,gas | 375.70 | J/mol×K | 593.90 | Joback Calculated Property |
| Cp,gas | 389.78 | J/mol×K | 628.04 | Joback Calculated Property |
| Cp,gas | 403.00 | J/mol×K | 662.18 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Carane, 4,5-epoxy-, trans.
Sources
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