Chemical Properties of 1-Heptenal

InChI

InChI=1S/C7H12O/c1-2-3-4-5-6-7-8/h6H,2-5H2,1H3

InChI Key

VPGHGGRZCMHQCC-UHFFFAOYSA-N

Formula

C7H12O

SMILES

CCCCCC=C=O

Molecular Weight¹

112.17

• 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).
• 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	0.3705		Relay (1.0) Calculated Property
ΔfG°	-22.00	kJ/mol	Joback Calculated Property
ΔfH°gas	-181.06	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	21.42	kJ/mol	Joback Calculated Property
ΔvapH°	43.10	kJ/mol	Relay (1.0) Calculated Property
IE	8.91	eV	Relay (1.0) Calculated Property
log10WS	-1.98		Relay (1.0) Calculated Property
logPoct/wat	1.955		Crippen Calculated Property
McVol	106.760	ml/mol	McGowan Calculated Property
Pc	3633.35	kPa	Joback Calculated Property
Inp	[901.00; 901.00]
Inp	901.00		NIST
Inp	901.00		NIST
Tboil	393.72	K	Relay (1.0) Calculated Property
Tc	586.30	K	Relay (1.0) Calculated Property
Tfus	192.77	K	Relay (1.0) Calculated Property
Vc	0.394	m3/kmol	Relay (1.0) Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[185.04; 240.51]	J/mol×K	[353.71; 516.34]
Cp,gas	185.04	J/mol×K	353.71	Joback Calculated Property
Cp,gas	195.32	J/mol×K	380.81	Joback Calculated Property
Cp,gas	205.17	J/mol×K	407.92	Joback Calculated Property
Cp,gas	214.60	J/mol×K	435.02	Joback Calculated Property
Cp,gas	223.62	J/mol×K	462.13	Joback Calculated Property
Cp,gas	232.25	J/mol×K	489.23	Joback Calculated Property
Cp,gas	240.51	J/mol×K	516.34	Joback Calculated Property

Similar Compounds

Find more compounds similar to 1-Heptenal.

Sources

• Cheméo Relay (1.0)
• Crippen Method
• Crippen Method
• Joback Method
• McGowan Method
• NIST Webbook

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