Diphenyl Carbonate

CAS: 102-09-0 | C13H10O3

2D Structure

Loading 3D structure...

CAS Registry Number

102-09-0

SMILES

O=C(Oc1ccccc1)Oc1ccccc1

InChI Key

ROORDVPLFPIABK-UHFFFAOYSA-N

InChI

InChI=1S/C13H10O3/c14-13(15-11-7-3-1-4-8-11)16-12-9-5-2-6-10-12/h1-10H

Comprehensive physical and chemical properties

Property	Value	Source
Molecular Mass	214.22 g/mol	CAS Common Chemistry
	214.21999999999997 g/mol	RDKit
Density	1.12 g/cm³	CAS Common Chemistry
	1.1215 g/cm3 @ 87 °C	CAS Common Chemistry
Wikipedia Url	https://en.wikipedia.org/wiki/Diphenyl_carbonate	CAS Common Chemistry
Boiling Point	302-306 °C	CAS Common Chemistry
Canonical SMILES	O=C(OC=1C=CC=CC1)OC=2C=CC=CC2	CAS Common Chemistry
InChI	InChI=1S/C13H10O3/c14-13(15-11-7-3-1-4-8-11)16-12-9-5-2-6-10-12/h1-10H	CAS Common Chemistry
InChI Key	InChIKey=ROORDVPLFPIABK-UHFFFAOYSA-N	CAS Common Chemistry
Melting Point	80-81 °C	CAS Common Chemistry
Name	Diphenyl carbonate	CAS Common Chemistry
Heavy Atom Count	16	RDKit
Hydrogen Bond Acceptors	3	RDKit
Hydrogen Bond Donors	0	RDKit
Rotatable Bonds	2	RDKit
Aromatic Ring Count	2	RDKit
Topological Polar Surface Area	35.53 Å²	RDKit
LogP	3.264400000000002	RDKit
	3.2644	RDKit
Molar Refractivity	59.53600000000003 cm³/mol	RDKit
Ring Count	2	RDKit
Formal Charge	0	RDKit
Fraction Csp3	0.0	RDKit
Exact Mass	214.06299418 g/mol	RDKit

NMR, IR, and Mass spectral data

Predicting NMR spectra...

10 ppm 9 8 7 6 5 4 3 2 1 0 ppm

Shift (ppm)	Multiplicity	Integration	Assignment

200 ppm 180 160 140 120 100 80 60 40 20 0 ppm

Shift (ppm)	DEPT	Assignment

Note: These NMR spectra are predicted computationally and may differ from experimental data. Predictions are based on chemical environment analysis.

Other compounds with formula C13H10O3.