Chemical Properties of [2,3-2H2]-trans-2,3-Epoxyoctanal

InChI

InChI=1S/C8H14O2/c1-2-3-4-5-7-8(6-9)10-7/h6-8H,2-5H2,1H3/t7-,8-/m1/s1/i7D,8D

InChI Key

YWFUECKBUFORTA-YAZXJRJDSA-N

Formula

C8H12D2O2

SMILES

CCCCCC1OC1C=O

Molecular Weight¹

144.21

• 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	0.4680		Relay (1.0) Calculated Property
ΔfG°	-116.12	kJ/mol	Joback Calculated Property
ΔfH°gas	-324.67	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	25.95	kJ/mol	Joback Calculated Property
ΔvapH°	56.28	kJ/mol	Relay (1.0) Calculated Property
IE	9.98	eV	Relay (1.0) Calculated Property
log10WS	-1.82		Relay (1.0) Calculated Property
logPoct/wat	1.533		Crippen Calculated Property
McVol	120.160	ml/mol	McGowan Calculated Property
Pc	3005.73	kPa	Joback Calculated Property
Inp	1093.00		NIST
I	[1533.00; 1542.00]
I	1533.00		NIST
I	1542.00		NIST
I	1533.00		NIST
Tboil	456.17	K	Relay (1.0) Calculated Property
Tc	647.61	K	Relay (1.0) Calculated Property
Tfus	288.43	K	Relay (1.0) Calculated Property
Vc	0.458	m3/kmol	Relay (1.0) Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[272.10; 342.08]	J/mol×K	[460.12; 644.46]
Cp,gas	272.10	J/mol×K	460.12	Joback Calculated Property
Cp,gas	285.30	J/mol×K	490.84	Joback Calculated Property
Cp,gas	297.85	J/mol×K	521.57	Joback Calculated Property
Cp,gas	309.78	J/mol×K	552.29	Joback Calculated Property
Cp,gas	321.11	J/mol×K	583.02	Joback Calculated Property
Cp,gas	331.87	J/mol×K	613.74	Joback Calculated Property
Cp,gas	342.08	J/mol×K	644.46	Joback Calculated Property
η	[0.0006364; 0.0020728]	Pa×s	[262.19; 460.12]
η	0.0020728	Pa×s	262.19	Joback Calculated Property
η	0.0015252	Pa×s	295.18	Joback Calculated Property
η	0.0011937	Pa×s	328.17	Joback Calculated Property
η	0.0009770	Pa×s	361.15	Joback Calculated Property
η	0.0008269	Pa×s	394.14	Joback Calculated Property
η	0.0007181	Pa×s	427.13	Joback Calculated Property
η	0.0006364	Pa×s	460.12	Joback Calculated Property

Similar Compounds

Find more compounds similar to [2,3-2H2]-trans-2,3-Epoxyoctanal.

Sources

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

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