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_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
ΔfH°gas	608.35	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	57.63	kJ/mol	Joback Calculated Property
ΔvapH°	197.57	kJ/mol	Relay (1.0) 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	-12.78		Relay (1.0) 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	979.02	K	Relay (1.0) Calculated Property
Tc	1433.04	K	Relay (1.0) Calculated Property
Tfus	770.10 ± 0.60	K	NIST
Vc	1.235	m3/kmol	Relay (1.0) Calculated Property

Cheméo can also estimate Standard Gibbs free energy of formation, Acentric Factor for this compound, but they fall outside the models' validated range, so they are not shown here. Open the prediction tool to compute them on demand.

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[928.37; 1238.14]	J/mol×K	[1130.60; 1405.10]
Cp,gas	928.37	J/mol×K	1130.60	Joback Calculated Property
Cp,gas	964.32	J/mol×K	1176.35	Joback Calculated Property
Cp,gas	1005.61	J/mol×K	1222.10	Joback Calculated Property
Cp,gas	1052.95	J/mol×K	1267.85	Joback Calculated Property
Cp,gas	1107.02	J/mol×K	1313.60	Joback Calculated Property
Cp,gas	1168.52	J/mol×K	1359.35	Joback Calculated Property
Cp,gas	1238.14	J/mol×K	1405.10	Joback Calculated Property
η	[0.8505645; 1.1591466]	Pa×s	[902.68; 1130.60]
η	0.8505645	Pa×s	902.68	Joback Calculated Property
η	0.9049745	Pa×s	940.67	Joback Calculated Property
η	0.9582414	Pa×s	978.65	Joback Calculated Property
η	1.0103162	Pa×s	1016.64	Joback Calculated Property
η	1.0611679	Pa×s	1054.63	Joback Calculated Property
η	1.1107798	Pa×s	1092.61	Joback Calculated Property
η	1.1591466	Pa×s	1130.60	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

• Cheméo Relay (1.0)
• Cheméo Relay (1.0, beta) Beta: served but experimental, data-limited and below our cross-validation release bar; the Joback value is recommended where available.
• 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.
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