Chemical Properties of cis-Chrysanthenyl propionate (CAS 70470-69-8)

InChI

InChI=1S/C13H20O2/c1-5-10(14)15-12-9-7-6-8(2)11(12)13(9,3)4/h6,9,11-12H,5,7H2,1-4H3

InChI Key

IRFLZVJYCZYXNP-UHFFFAOYSA-N

Formula

C13H20O2

SMILES

CCC(=O)OC1C2CC=C(C)C1C2(C)C

Molecular Weight¹

208.30

CAS

70470-69-8

• 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.
• 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	0.4364		Relay (1.0) Calculated Property
ΔfG°	-66.52	kJ/mol	Joback Calculated Property
ΔfH°gas	-396.12	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	23.06	kJ/mol	Joback Calculated Property
ΔvapH°	67.40	kJ/mol	Relay (1.0) Calculated Property
IE	8.60	eV	Relay (1.0) Calculated Property
log10WS	-3.27		Relay (1.0) Calculated Property
logPoct/wat	2.930		Crippen Calculated Property
McVol	175.450	ml/mol	McGowan Calculated Property
Pc	2193.84	kPa	Joback Calculated Property
Inp	[1343.00; 1354.70]
Inp	1354.70		NIST
Inp	1343.00		NIST
Inp	1354.00		NIST
Inp	1354.70		NIST
Inp	1343.00		NIST
I	[1664.00; 1664.00]
I	1664.00		NIST
I	1664.00		NIST
Tboil	509.75	K	Relay (1.0) Calculated Property
Tc	748.29	K	Relay (1.0) Calculated Property
Tfus	294.28	K	Relay (1.0) Calculated Property
Vc	0.601	m3/kmol	Relay (1.0) Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[469.87; 564.91]	J/mol×K	[585.92; 792.95]
Cp,gas	469.87	J/mol×K	585.92	Joback Calculated Property
Cp,gas	487.80	J/mol×K	620.43	Joback Calculated Property
Cp,gas	504.74	J/mol×K	654.93	Joback Calculated Property
Cp,gas	520.81	J/mol×K	689.44	Joback Calculated Property
Cp,gas	536.12	J/mol×K	723.94	Joback Calculated Property
Cp,gas	550.78	J/mol×K	758.45	Joback Calculated Property
Cp,gas	564.91	J/mol×K	792.95	Joback Calculated Property

Similar Compounds

Find more compounds similar to cis-Chrysanthenyl propionate.

Sources

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

Note: Cheméo is only indexing the data, follow the source links to retrieve the latest data. The source is also providing more information like the publication year, authors and more. Take the time to validate and double check the source of the data.