Water

Other names: Dihydrogen oxide; Distilled water; H2O; Ice; Tritiotope;

Water vapor; steam.
InChI: InChI=1S/H2O/h1H2
InChI Key: XLYOFNOQVPJJNP-UHFFFAOYSA-N
Formula: H2O
SMILES: O
Molecular Weight: 18.02
CAS: 7732-18-5

Physical Properties

Property Value Unit Source

PAff 691.00 kJ/mol NIST Webbook

BasG 660.00 kJ/mol NIST Webbook

fHgas -241.83 0.04 kJ/mol NIST Webbook

fHliquid -285.83 0.04 kJ/mol NIST Webbook

IE 12.62 0.00 eV NIST Webbook

IE 12.65 0.05 eV NIST Webbook

IE 12.62 0.00 eV NIST Webbook

IE 12.62 0.00 eV NIST Webbook

IE 12.60 0.10 eV NIST Webbook

IE 12.63 0.03 eV NIST Webbook

IE 12.61 eV NIST Webbook

IE 12.63 eV NIST Webbook

IE 12.62 eV NIST Webbook

IE 12.62 eV NIST Webbook

IE 12.62 0.00 eV NIST Webbook

IE 12.60 eV NIST Webbook

IE 12.60 eV NIST Webbook

 Property Value Unit Source

IE 12.62 0.00 eV NIST Webbook

IE 12.62 eV NIST Webbook

IE 12.70 eV NIST Webbook

IE 12.62 0.01 eV NIST Webbook

IE 12.62 eV NIST Webbook

IE 12.62 eV NIST Webbook

IE 12.65 eV NIST Webbook

IE 12.62 0.01 eV NIST Webbook

IE 12.59 0.01 eV NIST Webbook

IE 12.61 0.01 eV NIST Webbook

IE 12.60 0.01 eV NIST Webbook

IE 12.60 0.01 eV NIST Webbook

IE 12.62 0.02 eV NIST Webbook

IE 12.62 eV NIST Webbook

IE 11.80 eV NIST Webbook

IE 12.61 eV NIST Webbook

IE 12.61 eV NIST Webbook

IE 12.60 0.02 eV NIST Webbook

IE 12.62 eV NIST Webbook

logPoct/wat -0.82 Crippen Method

Pc 22064.00 5.00 kPa NIST Webbook

Pc 22060.00 12.00 kPa NIST Webbook

Pc 22046.00 25.00 kPa NIST Webbook

Pc 22064.00 30.00 kPa NIST Webbook

Pc 22064.00 0.01 kPa NIST Webbook

Ptriple 0.61 0.00 kPa NIST Webbook

Sgas,1 bar 188.84 0.01 J/molK NIST Webbook

Sliquid 69.95 0.03 J/molK NIST Webbook

 Property Value Unit Source

Tboil 373.20 0.10 K NIST Webbook

Tboil 373.16 0.05 K NIST Webbook

Tboil 373.15 0.20 K NIST Webbook

Tboil 373.16 0.10 K NIST Webbook

Tboil 373.20 0.10 K NIST Webbook

Tboil 373.15 0.05 K NIST Webbook

Tboil 373.20 0.50 K NIST Webbook

Tc 644.00 4.00 K NIST Webbook

Tc 647.14 0.10 K NIST Webbook

Tc 647.10 0.10 K NIST Webbook

Tc 647.06 0.08 K NIST Webbook

Tc 647.14 0.10 K NIST Webbook

Tc 647.14 0.10 K NIST Webbook

Tc 647.40 5.00 K NIST Webbook

Sources

NIST Webbook: http://webbook.nist.gov/cgi/inchi/InChI=1S/H2O/h1H2

Crippen Method: http://pubs.acs.org/doi/abs/10.1021/ci990307l

Legend

PAff: Proton affinity (kJ/mol).

BasG: Gas basicity (kJ/mol).
fHgas: Enthalpy of formation at standard conditions (kJ/mol).
fHliquid: Liquid phase enthalpy of formation at standard conditions (kJ/mol).
IE: Ionization energy (eV).
logPoct/wat: Octanol/Water partition coefficient .
Pc: Critical Pressure (kPa).
Ptriple: Triple Point Pressure (kPa).
Sgas,1 bar: Molar entropy at standard conditions (1 bar) (J/molK).
Sliquid: Liquid phase molar entropy at standard conditions (J/molK).
Tboil: Normal Boiling Point Temperature (K).
Tc: Critical Temperature (K).

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