From 8a22cbb91c51d042dbc8bc495bfc03015ed6b7fe Mon Sep 17 00:00:00 2001 From: Chris Neal Date: Thu, 10 May 2018 00:12:21 -0400 Subject: [PATCH] Added standard InChi key & string for Fluorine Values obtained from: https://pubchem.ncbi.nlm.nih.gov/compound/24524#section=Names-and-Identifiers --- dev/fluids/Fluorine.json | 6 +++--- 1 file changed, 3 insertions(+), 3 deletions(-) diff --git a/dev/fluids/Fluorine.json b/dev/fluids/Fluorine.json index c0d3b0f9..ef4241d1 100644 --- a/dev/fluids/Fluorine.json +++ b/dev/fluids/Fluorine.json @@ -503,8 +503,8 @@ "PH": 0 }, "FORMULA": "F_{2}", - "INCHI_KEY": "PXGOKWXKJXAPGV-UHFFFAOYAO", - "INCHI_STRING": "InChI=1/F2/c1-2", + "INCHI_KEY": "PXGOKWXKJXAPGV-UHFFFAOYSA-N", + "INCHI_STRING": "InChI=1S/F2/c1-2", "NAME": "Fluorine", "REFPROP_NAME": "FLUORINE", "SMILES": "FF" @@ -547,4 +547,4 @@ "smolar_units": "J/mol/K" } } -} \ No newline at end of file +}