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)

• 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).
• 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°	-167.38	kJ/mol	Joback Calculated Property
ΔfH°gas	-406.69	kJ/mol	Joback Calculated Property
ΔfusH°	17.42	kJ/mol	Joback Calculated Property
ΔvapH°	49.64	kJ/mol	Joback Calculated Property
log10WS	-1.74		Crippen 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	532.64	K	Joback Calculated Property
Tc	737.03	K	Joback Calculated Property
Tfus	324.23	K	Joback Calculated Property
Vc	0.564	m3/kmol	Joback 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

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

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