- InChI
- InChI=1S/C10H20O2/c1-7(2)10(12)5-4-8(3)9(11)6-10/h7-9,11-12H,4-6H2,1-3H3/t8-,9-,10+/m1/s1
- InChI Key
- PEFMIOBQXUUMNG-BBBLOLIVSA-N
- Formula
- C10H20O2
- SMILES
- CC1CCC(O)(C(C)C)CC1O
- Molecular Weight1
- 172.26
- 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° | -239.22 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -530.59 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 13.99 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 69.48 | kJ/mol | Joback Calculated Property |
| log10WS | -2.17 | Crippen Calculated Property | |
| logPoct/wat | 1.554 | Crippen Calculated Property | |
| McVol | 152.640 | ml/mol | McGowan Calculated Property |
| Pc | 3079.57 | kPa | Joback Calculated Property |
| Inp | [1420.00; 1420.00] |
|
|
| Inp | 1420.00 | NIST | |
| Inp | 1420.00 | NIST | |
| Tboil | 622.57 | K | Joback Calculated Property |
| Tc | 808.83 | K | Joback Calculated Property |
| Tfus | 331.90 | K | Joback Calculated Property |
| Vc | 0.556 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [433.50; 511.20] | J/mol×K | [622.57; 808.83] |
|
| Cp,gas | 433.50 | J/mol×K | 622.57 | Joback Calculated Property |
| Cp,gas | 447.89 | J/mol×K | 653.61 | Joback Calculated Property |
| Cp,gas | 461.61 | J/mol×K | 684.66 | Joback Calculated Property |
| Cp,gas | 474.74 | J/mol×K | 715.70 | Joback Calculated Property |
| Cp,gas | 487.33 | J/mol×K | 746.74 | Joback Calculated Property |
| Cp,gas | 499.46 | J/mol×K | 777.79 | Joback Calculated Property |
| Cp,gas | 511.20 | J/mol×K | 808.83 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to 4-Hydroxyneocarvomenthol.
Sources
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