Chemical Properties of Germacrene A (CAS 28387-44-2)

InChI

InChI=1S/C14H22/c1-12(2)14-9-7-5-4-6-8-13(3)10-11-14/h5,7-8,14H,1,4,6,9-11H2,2-3H3/b7-5+,13-8+/t14-/m0/s1

InChI Key

XNNFTAIJLZPUAI-HNVHAEGFSA-N

Formula

C14H22

SMILES

C=C(C)C1CC=CCCC=C(C)CC1

Molecular Weight¹

190.32

CAS

28387-44-2

• 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).
• 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
ΔfG°	172.63	kJ/mol	Joback Calculated Property
ΔfH°gas	-82.88	kJ/mol	Joback Calculated Property
ΔfusH°	14.92	kJ/mol	Joback Calculated Property
ΔvapH°	48.53	kJ/mol	Joback Calculated Property
log10WS	-4.90		Crippen Calculated Property
logPoct/wat	4.645		Crippen Calculated Property
McVol	184.360	ml/mol	McGowan Calculated Property
Pc	2157.31	kPa	Joback Calculated Property
Inp	[1474.00; 1528.00]
Inp	1484.00		NIST
Inp	1493.00		NIST
Inp	Outlier 1474.00		NIST
Inp	1509.00		NIST
Inp	1504.00		NIST
Inp	1510.00		NIST
Inp	1503.00		NIST
Inp	1503.00		NIST
Inp	1503.00		NIST
Inp	1505.00		NIST
Inp	1503.00		NIST
Inp	1501.00		NIST
Inp	1506.00		NIST
Inp	1503.00		NIST
Inp	1503.00		NIST
Inp	1506.00		NIST
Inp	1503.00		NIST
Inp	Outlier 1480.00		NIST
Inp	Outlier 1476.00		NIST
Inp	1504.00		NIST
Inp	1490.00		NIST
Inp	1506.00		NIST
Inp	1504.00		NIST
Inp	1483.00		NIST
Inp	1505.00		NIST
Inp	Outlier 1476.00		NIST
Inp	1503.00		NIST
Inp	1505.00		NIST
Inp	1512.00		NIST
Inp	1489.00		NIST
Inp	1503.00		NIST
Inp	1505.00		NIST
Inp	1505.00		NIST
Inp	1505.00		NIST
Inp	1506.00		NIST
Inp	1487.00		NIST
Inp	1498.00		NIST
Inp	1503.00		NIST
Inp	1509.00		NIST
Inp	1500.00		NIST
Inp	1501.00		NIST
Inp	1491.00		NIST
Inp	1504.00		NIST
Inp	1515.00		NIST
Inp	1509.00		NIST
Inp	1503.00		NIST
Inp	1495.00		NIST
Inp	1510.00		NIST
Inp	1512.00		NIST
Inp	1485.00		NIST
Inp	1498.00		NIST
Inp	1503.00		NIST
Inp	1500.00		NIST
Inp	1499.00		NIST
Inp	1503.00		NIST
Inp	1503.00		NIST
Inp	1499.00		NIST
Inp	1507.00		NIST
Inp	1482.00		NIST
Inp	1508.00		NIST
Inp	1510.00		NIST
Inp	1505.00		NIST
Inp	1503.00		NIST
Inp	1503.00		NIST
Inp	1507.00		NIST
Inp	1504.00		NIST
Inp	1494.00		NIST
Inp	1510.00		NIST
Inp	1508.00		NIST
Inp	1505.00		NIST
Inp	1508.00		NIST
Inp	1504.00		NIST
Inp	1503.00		NIST
Inp	Outlier 1528.00		NIST
Inp	1499.00		NIST
Inp	1505.00		NIST
Inp	Outlier 1522.00		NIST
Inp	1499.00		NIST
Inp	Outlier 1481.00		NIST
Inp	Outlier 1479.00		NIST
Inp	Outlier 1481.00		NIST
Inp	1505.00		NIST
Inp	1503.00		NIST
Inp	1496.00		NIST
Inp	1496.00		NIST
Inp	1501.00		NIST
Inp	1503.00		NIST
Inp	1495.00		NIST
Inp	1489.00		NIST
Inp	1491.00		NIST
Inp	Outlier 1481.00		NIST
Inp	1496.00		NIST
Inp	1500.00		NIST
Inp	1509.00		NIST
Inp	1501.00		NIST
Inp	1505.00		NIST
Inp	1505.00		NIST
Inp	1509.00		NIST
Inp	1505.00		NIST
Inp	1509.00		NIST
Inp	Outlier 1476.00		NIST
Inp	1501.00		NIST
Inp	1504.00		NIST
Inp	1505.00		NIST
Inp	1505.00		NIST
Inp	1509.00		NIST
Inp	1505.00		NIST
Inp	1502.00		NIST
Inp	1517.00		NIST
Inp	1495.00		NIST
Inp	1505.00		NIST
Inp	1508.00		NIST
Inp	1485.00		NIST
Inp	1503.00		NIST
Inp	1511.00		NIST
Inp	1509.00		NIST
Inp	1504.00		NIST
Inp	1509.00		NIST
Inp	1508.00		NIST
Inp	1505.00		NIST
Inp	1492.00		NIST
Inp	1511.00		NIST
Inp	1511.00		NIST
Inp	1505.00		NIST
Inp	1504.00		NIST
Inp	1503.00		NIST
Inp	1503.00		NIST
Inp	1504.00		NIST
Inp	1507.00		NIST
Inp	1506.00		NIST
Inp	1508.00		NIST
Inp	1509.00		NIST
Inp	1503.00		NIST
Inp	1502.00		NIST
Inp	1499.00		NIST
Inp	1502.00		NIST
Inp	Outlier 1480.00		NIST
Inp	1495.00		NIST
Inp	1513.00		NIST
Inp	1513.00		NIST
Inp	1488.00		NIST
Inp	1498.00		NIST
Inp	Outlier 1474.00		NIST
Inp	1503.00		NIST
Inp	1505.00		NIST
Inp	1509.00		NIST
Inp	1492.00		NIST
Inp	1508.00		NIST
Inp	1502.00		NIST
Inp	1488.00		NIST
Inp	1484.00		NIST
Inp	1506.00		NIST
I	[1700.00; 1776.00]
I	1725.00		NIST
I	1745.00		NIST
I	1741.00		NIST
I	1741.00		NIST
I	Outlier 1700.00		NIST
I	1738.00		NIST
I	1758.00		NIST
I	1757.00		NIST
I	1756.00		NIST
I	1747.00		NIST
I	1769.00		NIST
I	1743.00		NIST
I	1740.00		NIST
I	1776.00		NIST
I	1725.00		NIST
I	1735.00		NIST
I	1747.00		NIST
I	1758.00		NIST
I	1743.00		NIST
I	Outlier 1700.00		NIST
I	1747.00		NIST
Tboil	556.21	K	Joback Calculated Property
Tc	785.86	K	Joback Calculated Property
Tfus	239.16	K	Joback Calculated Property
Vc	0.674	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[446.33; 568.51]	J/mol×K	[556.21; 785.86]
Cp,gas	446.33	J/mol×K	556.21	Joback Calculated Property
Cp,gas	470.16	J/mol×K	594.48	Joback Calculated Property
Cp,gas	492.58	J/mol×K	632.76	Joback Calculated Property
Cp,gas	513.60	J/mol×K	671.03	Joback Calculated Property
Cp,gas	533.26	J/mol×K	709.31	Joback Calculated Property
Cp,gas	551.56	J/mol×K	747.58	Joback Calculated Property
Cp,gas	568.51	J/mol×K	785.86	Joback Calculated Property

Similar Compounds

Find more compounds similar to Germacrene A.

Sources

• 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.
Outlier This icon means that the value is more than 2 standard deviations away from the property mean.