Chemical Properties of [9]Helicene (CAS 20495-14-1)

InChI

InChI=1S/C38H22/c1-3-7-31-23(5-1)9-11-25-13-15-27-17-19-29-21-22-30-20-18-28-16-14-26-12-10-24-6-2-4-8-32(24)34(26)36(28)38(30)37(29)35(27)33(25)31/h1-22H

InChI Key

LKCSSGNXXHZCJW-UHFFFAOYSA-N

Formula

C38H22

SMILES

c1ccc2c(c1)ccc1ccc3ccc4ccc5ccc6ccc7ccc8ccccc8c7c6c5c4c3c12

Molecular Weight¹

478.58

CAS

20495-14-1

Other Names

• Diphenanthro[3,4-c:4'3'-g]phenanthrene

• ω : Acentric Factor.
• C_p,gas : Ideal gas heat capacity (J/mol×K).
• η : Dynamic viscosity (Pa×s).
• Δ_fG° : Standard Gibbs free energy of formation (kJ/mol).
• Δ_fH°_gas : Enthalpy of formation at standard conditions (kJ/mol).
• Δ_fusH° : Enthalpy of fusion at standard conditions (kJ/mol).
• Δ_vapH° : Enthalpy of vaporization at standard conditions (kJ/mol).
• IE : Ionization energy (eV).
• log₁₀WS : Log10 of Water solubility in mol/l.
• logP_oct/wat : Octanol/Water partition coefficient.
• McVol : McGowan's characteristic volume (ml/mol).
• P_c : Critical Pressure (kPa).
• T_boil : Normal Boiling Point Temperature (K).
• T_c : Critical Temperature (K).
• T_fus : Normal melting (fusion) point (K).
• V_c : Critical Volume (m³/kmol).
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Property	Value	Unit	Source
ω	0.8947		Relay (1.0) Calculated Property
ΔfG°	1167.28	kJ/mol	Joback Calculated Property
ΔfH°gas	668.10	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	61.65	kJ/mol	Joback Calculated Property
ΔvapH°	219.61	kJ/mol	Relay (1.0) Calculated Property
IE	[7.07; 7.07]	eV
IE	7.07	eV	NIST
IE	7.07	eV	NIST
log10WS	-13.07		Relay (1.0) Calculated Property
logPoct/wat	10.912		Crippen Calculated Property
McVol	366.840	ml/mol	McGowan Calculated Property
Pc	1392.29	kPa	Joback Calculated Property
Tboil	1040.80	K	Relay (1.0) Calculated Property
Tc	1486.40	K	Relay (1.0) Calculated Property
Tfus	648.50	K	Relay (1.0) Calculated Property
Vc	1.397	m3/kmol	Relay (1.0) Calculated Property

Correlations

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[444.22; 1113.71]	J/mol×K	[273.00; 1000.00]	Joback Predicted correlation
Equation			Y = A + B·T + C·T² + D·T³ + E·T⁴ Y is Cp,gas in J/mol×K, T in K
Coefficient A			-2.17010e+02
Coefficient B			3.08880e+00
Coefficient C			-2.69908e-03
Coefficient D			9.41000e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	444.22	J/mol×K	273.00	Calculated Property
Cp,gas	579.59	J/mol×K	353.78	Calculated Property
Cp,gas	692.77	J/mol×K	434.56	Calculated Property
Cp,gas	786.74	J/mol×K	515.33	Calculated Property
Cp,gas	864.47	J/mol×K	596.11	Calculated Property
Cp,gas	928.94	J/mol×K	676.89	Calculated Property
Cp,gas	983.12	J/mol×K	757.67	Calculated Property
Cp,gas	1030.00	J/mol×K	838.44	Calculated Property
Cp,gas	1072.53	J/mol×K	919.22	Calculated Property
Cp,gas	1113.71	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0104640; 0.0081141]	Pa×s	[893.68; 1106.31]	Joback Predicted correlation
Equation			Y = exp(A + B/T + C·ln(T) + D·T^E) Y is η in Pa×s, T in K
Coefficient A			-5.88315e+00
Coefficient B			1.18264e+03
Coefficient C			0.00000e+00
Coefficient D			0.00000e+00
Coefficient E			0.00000e+00
Comment			Liquid phase. Joback/Reid (1987), valid from Tf to 0.7·Tc.
Temperature range, min.			893.68
Temperature range, max.			1106.31
η	0.0104640	Pa×s	893.68	Calculated Property
η	0.0101134	Pa×s	917.31	Calculated Property
η	0.0097913	Pa×s	940.93	Calculated Property
η	0.0094944	Pa×s	964.56	Calculated Property
η	0.0092202	Pa×s	988.18	Calculated Property
η	0.0089661	Pa×s	1011.81	Calculated Property
η	0.0087301	Pa×s	1035.43	Calculated Property
η	0.0085105	Pa×s	1059.06	Calculated Property
η	0.0083056	Pa×s	1082.68	Calculated Property
η	0.0081141	Pa×s	1106.31	Calculated Property

Similar Compounds

Find more compounds similar to [9]Helicene.

Sources

• Cheméo Relay (1.0)
• Crippen Method
• Crippen Method
• Joback Method
• McGowan Method
• NIST Webbook

Note: Cheméo is only indexing the data, follow the source links to retrieve the latest data. The source is also providing more information like the publication year, authors and more. Take the time to validate and double check the source of the data.
These property values are available through the Cheméo API. A free account gives you an access key.