- InChI
- InChI=1S/C9H13NO2/c1-2-9(12-8(10)11)6-4-3-5-7-9/h1H,3-7H2,(H2,10,11)
- InChI Key
- GXRZIMHKGDIBEW-UHFFFAOYSA-N
- Formula
- C9H13NO2
- SMILES
- C#CC1(OC(N)=O)CCCCC1
- Molecular Weight1
- 167.21
- CAS
- 126-52-3
- Other Names
-
- Cyclohexanol, 1-ethynyl-, carbamate
- Ethinamat
- Valamin
- Valmid
- Valmidate
- Volamin
- 1-Ethinylcyclohexyl carbamate
- 1-Ethynylcyclohexanol carbamate
- 1-Ethynylcyclohexyl carbamate
- Carbamic acid, 1-ethynylcyclohexyl ester
- Etinamate
- USAF EL-42
- Valamina
- Valaminettae
- Valaminetten
- Aethinyl-cyclohexyl-carbamat
- Carbamate de l'ethinylcyclohexanol
- Ethinimate
- Cyclohexanol, 1-ethynyl-, 1-carbamate
- NSC 11538
- 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° | 99.46 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -78.64 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 15.56 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 54.56 | kJ/mol | Joback Calculated Property |
| log10WS | -2.67 | Crippen Calculated Property | |
| logPoct/wat | 1.418 | Crippen Calculated Property | |
| McVol | 135.630 | ml/mol | McGowan Calculated Property |
| Pc | 4000.70 | kPa | Joback Calculated Property |
| Inp | [1328.00; 1397.40] |
|
|
| Inp | 1365.00 | NIST | |
| Inp | 1395.00 | NIST | |
| Inp | 1348.00 | NIST | |
| Inp | 1352.00 | NIST | |
| Inp | 1369.00 | NIST | |
| Inp | 1328.00 | NIST | |
| Inp | 1349.00 | NIST | |
| Inp | 1349.00 | NIST | |
| Inp | 1352.00 | NIST | |
| Inp | 1350.00 | NIST | |
| Inp | 1348.00 | NIST | |
| Inp | 1360.00 | NIST | |
| Inp | Outlier 1397.40 | NIST | |
| Inp | 1343.00 | NIST | |
| Inp | 1370.00 | NIST | |
| Inp | 1370.00 | NIST | |
| Inp | 1363.00 | NIST | |
| Inp | 1395.00 | NIST | |
| Inp | 1365.00 | NIST | |
| Inp | 1363.00 | NIST | |
| Tboil | 564.05 | K | Joback Calculated Property |
| Tc | 807.95 | K | Joback Calculated Property |
| Tfus | 424.86 | K | Joback Calculated Property |
| Vc | 0.485 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [332.24; 410.08] | J/mol×K | [564.05; 807.95] |
|
| Cp,gas | 332.24 | J/mol×K | 564.05 | Joback Calculated Property |
| Cp,gas | 347.36 | J/mol×K | 604.70 | Joback Calculated Property |
| Cp,gas | 361.42 | J/mol×K | 645.35 | Joback Calculated Property |
| Cp,gas | 374.57 | J/mol×K | 686.00 | Joback Calculated Property |
| Cp,gas | 386.97 | J/mol×K | 726.65 | Joback Calculated Property |
| Cp,gas | 398.75 | J/mol×K | 767.30 | Joback Calculated Property |
| Cp,gas | 410.08 | J/mol×K | 807.95 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Ethinamate.
Sources
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Outlier This icon means
that the value is more than 2 standard deviations away from the
property mean.