Chemical Properties of marmelolactone, I

InChI

InChI=1S/C10H14O2/c1-7(2)4-5-9-6-8(3)10(11)12-9/h4-5,8-9H,1,6H2,2-3H3/b5-4+

InChI Key

VOJBXZDIFIJUKD-SNAWJCMRSA-N

Formula

C10H14O2

SMILES

C=C(C)C=CC1CC(C)C(=O)O1

Molecular Weight¹

166.22

• 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 : 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	0.3953		Relay (... Calculated Property
ΔfG°	12.96	kJ/mol	Joback Calculated Property
ΔfH°gas	-324.81	kJ/mol	Relay (... Calculated Property
ΔfusH°	21.76	kJ/mol	Joback Calculated Property
ΔvapH°	69.40	kJ/mol	Relay (... Calculated Property
IE	8.92	eV	Relay (... Calculated Property
log10WS	-2.36		Relay (... Calculated Property
logPoct/wat	2.070		Crippen Calculated Property
McVol	139.740	ml/mol	McGowan Calculated Property
Pc	2752.67	kPa	Joback Calculated Property
I	[2095.00; 2095.00]
I	2095.00		NIST
I	2095.00		NIST
Tboil	514.64	K	Relay (... Calculated Property
Tc	698.14	K	Relay (... Calculated Property
Tfus	289.21	K	Relay (... Calculated Property
Vc	0.493	m3/kmol	Relay (... Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[333.62; 421.75]	J/mol×K	[534.30; 756.82]
Cp,gas	333.62	J/mol×K	534.30	Joback Calculated Property
Cp,gas	350.53	J/mol×K	571.39	Joback Calculated Property
Cp,gas	366.54	J/mol×K	608.47	Joback Calculated Property
Cp,gas	381.64	J/mol×K	645.56	Joback Calculated Property
Cp,gas	395.86	J/mol×K	682.64	Joback Calculated Property
Cp,gas	409.23	J/mol×K	719.73	Joback Calculated Property
Cp,gas	421.75	J/mol×K	756.82	Joback Calculated Property

Similar Compounds

Find more compounds similar to marmelolactone, I.

Sources

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

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