Chemical Properties of dihydrochrysene (CAS 41593-31-1)

InChI

InChI=1S/C18H14/c1-3-7-15-13(5-1)9-11-18-16-8-4-2-6-14(16)10-12-17(15)18/h1-9,11H,10,12H2

InChI Key

QAOVZIXGCXUFMK-UHFFFAOYSA-N

Formula

C18H14

SMILES

c1ccc2c(c1)CCc1c-2ccc2ccccc12

Molecular Weight¹

230.30

CAS

41593-31-1

• 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_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).
• I_np : Non-polar retention indices.
• 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	264.46	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	25.47	kJ/mol	Joback Calculated Property
ΔvapH°	103.61	kJ/mol	Relay (1.0) Calculated Property
IE	7.59	eV	Relay (1.0) Calculated Property
log10WS	-6.73		Relay (1.0) Calculated Property
logPoct/wat	4.605		Crippen Calculated Property
McVol	186.640	ml/mol	McGowan Calculated Property
Inp	[2328.80; 2328.80]
Inp	2328.80		NIST
Inp	2328.80		NIST
Tboil	682.40	K	Relay (1.0) Calculated Property
Tc	956.73	K	Relay (1.0) Calculated Property
Tfus	381.39	K	Relay (1.0) Calculated Property
Vc	0.716	m3/kmol	Relay (1.0) Calculated Property

Cheméo can also estimate Critical Pressure, 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.

Correlations

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[218.65; 582.31]	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			-1.20890e+02
Coefficient B			1.56080e+00
Coefficient C			-1.27540e-03
Coefficient D			4.17800e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	218.65	J/mol×K	273.00	Calculated Property
Cp,gas	290.16	J/mol×K	353.78	Calculated Property
Cp,gas	350.80	J/mol×K	434.56	Calculated Property
Cp,gas	401.91	J/mol×K	515.33	Calculated Property
Cp,gas	444.81	J/mol×K	596.11	Calculated Property
Cp,gas	480.81	J/mol×K	676.89	Calculated Property
Cp,gas	511.24	J/mol×K	757.67	Calculated Property
Cp,gas	537.42	J/mol×K	838.44	Calculated Property
Cp,gas	560.67	J/mol×K	919.22	Calculated Property
Cp,gas	582.31	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0017899; 0.0007293]	Pa×s	[441.42; 676.89]	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			-8.90657e+00
Coefficient B			1.13930e+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.			441.42
Temperature range, max.			676.89
η	0.0017899	Pa×s	441.42	Calculated Property
η	0.0015492	Pa×s	467.58	Calculated Property
η	0.0013616	Pa×s	493.75	Calculated Property
η	0.0012123	Pa×s	519.91	Calculated Property
η	0.0010915	Pa×s	546.07	Calculated Property
η	0.0009922	Pa×s	572.24	Calculated Property
η	0.0009095	Pa×s	598.40	Calculated Property
η	0.0008397	Pa×s	624.56	Calculated Property
η	0.0007804	Pa×s	650.73	Calculated Property
η	0.0007293	Pa×s	676.89	Calculated Property

Similar Compounds

Find more compounds similar to dihydrochrysene.

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.
These property values are available through the Cheméo API. A free account gives you an access key.