Chemical Properties of trans-2,3-epoxyheptanal

InChI

InChI=1S/C7H12O2/c1-2-3-4-6-7(5-8)9-6/h5-7H,2-4H2,1H3/t6-,7-/m0/s1

InChI Key

JSGLRFSEKUNPRD-BQBZGAKWSA-N

Formula

C7H12O2

SMILES

CCCCC1OC1C=O

Molecular Weight¹

128.17

• ω : Acentric Factor.
• 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).
• 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.
• I : 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	0.4275		Relay (1.0) Calculated Property
ΔfG°	-124.54	kJ/mol	Joback Calculated Property
ΔfH°gas	-300.37	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	23.36	kJ/mol	Joback Calculated Property
ΔvapH°	52.22	kJ/mol	Relay (1.0) Calculated Property
IE	10.02	eV	Relay (1.0) Calculated Property
log10WS	-1.30		Relay (1.0) Calculated Property
logPoct/wat	1.143		Crippen Calculated Property
McVol	106.070	ml/mol	McGowan Calculated Property
Pc	3348.98	kPa	Joback Calculated Property
Inp	992.00		NIST
I	[1446.00; 1446.00]
I	1446.00		NIST
I	1446.00		NIST
Tboil	436.20	K	Relay (1.0) Calculated Property
Tc	626.05	K	Relay (1.0) Calculated Property
Tfus	273.36	K	Relay (1.0) Calculated Property
Vc	0.403	m3/kmol	Relay (1.0) Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[230.62; 295.06]	J/mol×K	[437.24; 623.31]
Cp,gas	230.62	J/mol×K	437.24	Joback Calculated Property
Cp,gas	242.79	J/mol×K	468.25	Joback Calculated Property
Cp,gas	254.36	J/mol×K	499.26	Joback Calculated Property
Cp,gas	265.35	J/mol×K	530.28	Joback Calculated Property
Cp,gas	275.78	J/mol×K	561.29	Joback Calculated Property
Cp,gas	285.67	J/mol×K	592.30	Joback Calculated Property
Cp,gas	295.06	J/mol×K	623.31	Joback Calculated Property
η	[0.0006125; 0.0017719]	Pa×s	[250.92; 437.24]
η	0.0017719	Pa×s	250.92	Joback Calculated Property
η	0.0013465	Pa×s	281.97	Joback Calculated Property
η	0.0010805	Pa×s	313.03	Joback Calculated Property
η	0.0009022	Pa×s	344.08	Joback Calculated Property
η	0.0007762	Pa×s	375.13	Joback Calculated Property
η	0.0006833	Pa×s	406.19	Joback Calculated Property
η	0.0006125	Pa×s	437.24	Joback Calculated Property

Similar Compounds

Find more compounds similar to trans-2,3-epoxyheptanal.

Sources

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

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