From 2adcdade82c082e5886f29cd9f9e6347e9871a04 Mon Sep 17 00:00:00 2001 From: Chris Neal Date: Fri, 11 May 2018 12:59:57 -0400 Subject: [PATCH] Added standard InChi key & string for R236EA Values obtained from: https://pubchem.ncbi.nlm.nih.gov/compound/79009#section=Names-and-Identifiers --- dev/fluids/R236EA.json | 6 +++--- 1 file changed, 3 insertions(+), 3 deletions(-) diff --git a/dev/fluids/R236EA.json b/dev/fluids/R236EA.json index 3b477120..64085f93 100644 --- a/dev/fluids/R236EA.json +++ b/dev/fluids/R236EA.json @@ -418,8 +418,8 @@ "PH": -1 }, "FORMULA": "C_{3}F_{6}H_{2}", - "INCHI_KEY": "FYIRUPZTYPILDH-UHFFFAOYAA", - "INCHI_STRING": "InChI=1/C3H2F6/c4-1(2(5)6)3(7,8)9/h1-2H", + "INCHI_KEY": "FYIRUPZTYPILDH-UHFFFAOYSA-N", + "INCHI_STRING": "InChI=1S/C3H2F6/c4-1(2(5)6)3(7,8)9/h1-2H", "NAME": "R236EA", "REFPROP_NAME": "R236EA", "SMILES": "C(C(F)F)(C(F)(F)F)F" @@ -518,4 +518,4 @@ "type": "ECS" } } -} \ No newline at end of file +}