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

• 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
ΔfG°	1167.28	kJ/mol	Joback Calculated Property
ΔfH°gas	857.15	kJ/mol	Joback Calculated Property
ΔfusH°	61.65	kJ/mol	Joback Calculated Property
ΔvapH°	120.21	kJ/mol	Joback Calculated Property
IE	[7.07; 7.07]	eV
IE	7.07	eV	NIST
IE	7.07	eV	NIST
log10WS	-15.91		Crippen 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	1282.22	K	Joback Calculated Property
Tc	1580.19	K	Joback Calculated Property
Tfus	893.68	K	Joback Calculated Property
Vc	1.431	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[1289.69; 1637.22]	J/mol×K	[1282.22; 1580.19]
Cp,gas	1289.69	J/mol×K	1282.22	Joback Calculated Property
Cp,gas	1332.23	J/mol×K	1331.88	Joback Calculated Property
Cp,gas	1379.99	J/mol×K	1381.54	Joback Calculated Property
Cp,gas	1433.68	J/mol×K	1431.21	Joback Calculated Property
Cp,gas	1493.99	J/mol×K	1480.87	Joback Calculated Property
Cp,gas	1561.60	J/mol×K	1530.53	Joback Calculated Property
Cp,gas	1637.22	J/mol×K	1580.19	Joback Calculated Property
η	[0.0070073; 0.0104640]	Pa×s	[893.68; 1282.22]
η	0.0104640	Pa×s	893.68	Joback Calculated Property
η	0.0095691	Pa×s	958.44	Joback Calculated Property
η	0.0088502	Pa×s	1023.19	Joback Calculated Property
η	0.0082618	Pa×s	1087.95	Joback Calculated Property
η	0.0077724	Pa×s	1152.71	Joback Calculated Property
η	0.0073596	Pa×s	1217.46	Joback Calculated Property
η	0.0070073	Pa×s	1282.22	Joback Calculated Property

Similar Compounds

Find more compounds similar to [9]Helicene.

Sources

• Crippen Method
• Crippen Method
• Joback Method
• McGowan Method
• NIST Webbook

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