Chemical Properties of 1-Pyrenecarboxaldehyde (CAS 3029-19-4)

InChI

InChI=1S/C17H10O/c18-10-14-7-6-13-5-4-11-2-1-3-12-8-9-15(14)17(13)16(11)12/h1-10H

InChI Key

RCYFOPUXRMOLQM-UHFFFAOYSA-N

Formula

C17H10O

SMILES

O=Cc1ccc2ccc3cccc4ccc1c2c34

Molecular Weight¹

230.26

CAS

3029-19-4

Other Names

• 1-Pyrenealdehyde
• 1-Pyrenecarbaldehyde
• 1-formylpyrene
• 3-Formylpyrene
• 3-Pyrenealdehyde
• 3-Pyrenecarboxaldehyde
• 3-Pyrenylaldehyde
• NSC 30811
• pyrene, 1-formyl-
• pyrene-1-carbaldehyde

• 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).
• 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).
• 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
ΔfG°	390.45	kJ/mol	Joback Calculated Property
ΔfH°gas	250.08	kJ/mol	Joback Calculated Property
ΔfusH°	28.98	kJ/mol	Joback Calculated Property
ΔvapH°	68.70	kJ/mol	Joback Calculated Property
log10WS	-6.54		Crippen Calculated Property
logPoct/wat	4.396		Crippen Calculated Property
McVol	174.120	ml/mol	McGowan Calculated Property
Pc	2950.48	kPa	Joback Calculated Property
Inp	[406.60; 2432.00]
Inp	2432.00		NIST
Inp	406.60		NIST
Inp	2432.00		NIST
Tboil	727.88	K	Joback Calculated Property
Tc	978.95	K	Joback Calculated Property
Tfus	[398.15; 399.90]	K
Tfus	399.90	K	Experim...
Tfus	398.15 ± 2.00	K	NIST
Vc	0.693	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[447.33; 509.95]	J/mol×K	[727.88; 978.95]
Cp,gas	447.33	J/mol×K	727.88	Joback Calculated Property
Cp,gas	459.11	J/mol×K	769.73	Joback Calculated Property
Cp,gas	470.10	J/mol×K	811.57	Joback Calculated Property
Cp,gas	480.48	J/mol×K	853.42	Joback Calculated Property
Cp,gas	490.45	J/mol×K	895.26	Joback Calculated Property
Cp,gas	500.21	J/mol×K	937.11	Joback Calculated Property
Cp,gas	509.95	J/mol×K	978.95	Joback Calculated Property
η	[0.0017191; 0.0028381]	Pa×s	[491.71; 727.88]
η	0.0028381	Pa×s	491.71	Joback Calculated Property
η	0.0025310	Pa×s	531.07	Joback Calculated Property
η	0.0022931	Pa×s	570.43	Joback Calculated Property
η	0.0021042	Pa×s	609.80	Joback Calculated Property
η	0.0019511	Pa×s	649.16	Joback Calculated Property
η	0.0018248	Pa×s	688.52	Joback Calculated Property
η	0.0017191	Pa×s	727.88	Joback Calculated Property

Similar Compounds

Find more compounds similar to 1-Pyrenecarboxaldehyde.

Sources

• Crippen Method
• Crippen Method
• Experimental and computational thermodynamics of pyrene and 1-pyrenecarboxaldehyde and their photophysical properties
• Joback Method
• McGowan Method
• NIST Webbook

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