Chemical Properties of Pinonaldehyde (CAS 2704-78-1)

InChI

InChI=1S/C10H16O2/c1-7(12)9-6-8(4-5-11)10(9,2)3/h5,8-9H,4,6H2,1-3H3

InChI Key

GCHDWVBHKDJOKU-UHFFFAOYSA-N

Formula

C10H16O2

SMILES

CC(=O)C1CC(CC=O)C1(C)C

Molecular Weight¹

168.23

CAS

2704-78-1

Other Names

• 3-Acetyl-2,2-dimethylcyclobutaneacetaldehyde (pinonaldehyde)

• ω : Acentric Factor.
• C_p,gas : Ideal gas heat capacity (J/mol×K).
• 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).
• Δ_vapH : Enthalpy of vaporization at a given temperature (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).
• 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
ω	0.4059		Relay (1.0) Calculated Property
ΔfG°	-167.38	kJ/mol	Joback Calculated Property
ΔfH°gas	-357.54	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	17.42	kJ/mol	Joback Calculated Property
ΔvapH°	60.39	kJ/mol	Relay (1.0) Calculated Property
IE	9.05	eV	Relay (1.0) Calculated Property
log10WS	-1.35		Relay (1.0) Calculated Property
logPoct/wat	1.827		Crippen Calculated Property
McVol	144.040	ml/mol	McGowan Calculated Property
Pc	2749.78	kPa	Joback Calculated Property
Inp	[1276.00; 1276.00]
Inp	1276.00		NIST
Inp	1276.00		NIST
Tboil	498.60	K	Relay (1.0) Calculated Property
Tc	722.59	K	Relay (1.0) Calculated Property
Tfus	248.29	K	Relay (1.0) Calculated Property
Vc	0.463	m3/kmol	Relay (1.0) Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[353.49; 433.95]	J/mol×K	[532.64; 737.03]
Cp,gas	353.49	J/mol×K	532.64	Joback Calculated Property
Cp,gas	368.88	J/mol×K	566.71	Joback Calculated Property
Cp,gas	383.35	J/mol×K	600.77	Joback Calculated Property
Cp,gas	397.00	J/mol×K	634.84	Joback Calculated Property
Cp,gas	409.91	J/mol×K	668.90	Joback Calculated Property
Cp,gas	422.20	J/mol×K	702.97	Joback Calculated Property
Cp,gas	433.95	J/mol×K	737.03	Joback Calculated Property
ΔvapH	75.50 ± 5.60	kJ/mol	295.50	NIST

Similar Compounds

Find more compounds similar to Pinonaldehyde.

Sources

• Cheméo Relay (1.0)
• 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.