Chemical Properties of Ovalene (CAS 190-26-1)

InChI

InChI=1S/C32H14/c1-2-16-6-10-20-14-22-12-8-18-4-3-17-7-11-21-13-19-9-5-15(1)23-24(16)28(20)32-30(22)26(18)25(17)29(21)31(32)27(19)23/h1-14H

InChI Key

LSQODMMMSXHVCN-UHFFFAOYSA-N

Formula

C32H14

SMILES

c1cc2ccc3cc4ccc5ccc6ccc7cc8ccc1c1c2c3c2c4c5c6c7c2c81

Molecular Weight¹

398.45

CAS

190-26-1

• 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_fusH : Enthalpy of fusion at a given temperature (kJ/mol).
• Δ_subH : Enthalpy of sublimation at a given temperature (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).
• Δ_fusS : Entropy of fusion at a given temperature (J/mol×K).
• 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°	1184.98	kJ/mol	Joback Calculated Property
ΔfH°gas	933.29	kJ/mol	Joback Calculated Property
ΔfusH°	57.63	kJ/mol	Joback Calculated Property
ΔvapH°	105.98	kJ/mol	Joback Calculated Property
IE	[6.71; 7.20]	eV
IE	6.71	eV	NIST
IE	6.86 ± 0.01	eV	NIST
IE	7.20 ± 0.10	eV	NIST
IE	7.01	eV	NIST
IE	6.71	eV	NIST
log10WS	-14.79		Crippen Calculated Property
logPoct/wat	9.254		Crippen Calculated Property
McVol	284.340	ml/mol	McGowan Calculated Property
Pc	1883.80	kPa	Joback Calculated Property
Tboil	1130.40	K	Joback Calculated Property
Tc	1404.85	K	Joback Calculated Property
Tfus	770.10 ± 0.60	K	NIST
Vc	1.167	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[928.23; 1237.74]	J/mol×K	[1130.40; 1404.85]
Cp,gas	928.23	J/mol×K	1130.40	Joback Calculated Property
Cp,gas	964.14	J/mol×K	1176.14	Joback Calculated Property
Cp,gas	1005.41	J/mol×K	1221.88	Joback Calculated Property
Cp,gas	1052.70	J/mol×K	1267.63	Joback Calculated Property
Cp,gas	1106.73	J/mol×K	1313.37	Joback Calculated Property
Cp,gas	1168.18	J/mol×K	1359.11	Joback Calculated Property
Cp,gas	1237.74	J/mol×K	1404.85	Joback Calculated Property
η	[0.8505645; 1.1588952]	Pa×s	[902.68; 1130.40]
η	0.8505645	Pa×s	902.68	Joback Calculated Property
η	0.9049273	Pa×s	940.63	Joback Calculated Property
η	0.9581490	Pa×s	978.59	Joback Calculated Property
η	1.0101807	Pa×s	1016.54	Joback Calculated Property
η	1.0609916	Pa×s	1054.49	Joback Calculated Property
η	1.1105648	Pa×s	1092.45	Joback Calculated Property
η	1.1588952	Pa×s	1130.40	Joback Calculated Property
ΔfusH	[8.08; 17.40]	kJ/mol	[729.00; 770.10]
ΔfusH	8.08	kJ/mol	729.00	NIST
ΔfusH	17.40	kJ/mol	770.10	NIST
ΔfusH	17.40	kJ/mol	770.10	NIST
ΔsubH	211.70 ± 7.90	kJ/mol	600.00	NIST
ΔfusS	[11.08; 22.59]	J/mol×K	[729.00; 770.10]
ΔfusS	11.08	J/mol×K	729.00	NIST
ΔfusS	22.59	J/mol×K	770.10	NIST

Similar Compounds

Find more compounds similar to Ovalene.

Sources

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

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