- InChI
- InChI=1S/C9H11NO3/c10-9(12)13-6-8(11)7-4-2-1-3-5-7/h1-5,8,11H,6H2,(H2,10,12)
- InChI Key
- OCSOHUROTFFTFO-UHFFFAOYSA-N
- Formula
- C9H11NO3
- SMILES
- NC(=O)OCC(O)c1ccccc1
- Molecular Weight1
- 181.19
- CAS
- 94-35-9
- Other Names
-
- 1,2-Ethanediol, 1-phenyl-, 2-carbamate
- «beta»-Hydroxyphenethyl carbamate
- Linaxar
- Myospaz
- Sinaxar
- Styramat
- 2-Hydroxy-2-phenylethyl carbamate
- 2-Phenyl-2-hydroxyethyl carbamate
- AL 1076
- Carbamic acid, «beta»-hydroxyphenethyl ester
- Phenethyl alcohol, «beta»-hydroxy-, «alpha»-carbamate
- Stiramato
- 1-Phenyl-1,2-ethanediol 2-carbamate
- NSC 115889
- 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 | 0.7767 | Relay (1.0) Calculated Property | |
| ΔfG° | -169.42 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -533.67 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 21.66 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 96.51 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 9.20 | eV | Relay (1.0) Calculated Property |
| log10WS | -0.74 | Relay (1.0) Calculated Property | |
| logPoct/wat | 0.815 | Crippen Calculated Property | |
| McVol | 137.200 | ml/mol | McGowan Calculated Property |
| Pc | 4173.09 | kPa | Joback Calculated Property |
| Inp | [1667.00; 1667.00] |
|
|
| Inp | 1667.00 | NIST | |
| Inp | 1667.00 | NIST | |
| Tboil | 557.96 | K | Relay (1.0) Calculated Property |
| Tc | 812.65 | K | Relay (1.0) Calculated Property |
| Tfus | 331.97 | K | Relay (1.0) Calculated Property |
| Vc | 0.498 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [358.13; 409.36] | J/mol×K | [672.56; 885.15] |
|
| Cp,gas | 358.13 | J/mol×K | 672.56 | Joback Calculated Property |
| Cp,gas | 368.35 | J/mol×K | 707.99 | Joback Calculated Property |
| Cp,gas | 377.87 | J/mol×K | 743.42 | Joback Calculated Property |
| Cp,gas | 386.71 | J/mol×K | 778.85 | Joback Calculated Property |
| Cp,gas | 394.89 | J/mol×K | 814.28 | Joback Calculated Property |
| Cp,gas | 402.44 | J/mol×K | 849.72 | Joback Calculated Property |
| Cp,gas | 409.36 | J/mol×K | 885.15 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Styramate.
Sources
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